benzyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-4-chloro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-3-fluoro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-2-phenylacetamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-3-(trifluoromethyl)benzamide;cyclohexylmethyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate

C218H279ClF4N22O14 — CID 158552902

IUPACbenzyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-4-chloro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-3-fluoro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-2-phenylacetamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-3-(trifluoromethyl)benzamide;cyclohexylmethyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate
SMILESCCCN(C(=O)NCc1ccccc1)C1CCN(C[C@H]2CC(N(C)C(=O)Cc3ccccc3)C[C@@H]2c2ccccc2)CC1.CCCN(C(=O)NCc1ccccc1)C1CCN(C[C@H]2CC(N(C)C(=O)c3ccc(Cl)cc3)C[C@@H]2c2ccccc2)CC1.CCCN(C(=O)NCc1ccccc1)C1CCN(C[C@H]2CC(N(C)C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]2c2ccccc2)CC1.CCCN(C(=O)NCc1ccccc1)C1CCN(C[C@H]2CC(N(C)C(=O)c3cccc(F)c3)C[C@@H]2c2ccccc2)CC1.CCCN(C(=O)OCC1CCCCC1)C1CCN(C[C@H]2CC(N(C)C(=O)c3ccccc3)C[C@@H]2c2ccccc2)CC1.CCCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CC(N(C)C(=O)c3ccccc3)C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C37H45F3N4O2.C37H48N4O2.C36H45ClN4O2.C36H45FN4O2.C36H51N3O3.C36H45N3O3/c1-3-19-44(36(46)41-25-27-11-6-4-7-12-27)32-17-20-43(21-18-32)26-30-23-33(24-34(30)28-13-8-5-9-14-28)42(2)35(45)29-15-10-16-31(22-29)37(38,39)40;1-3-21-41(37(43)38-27-30-15-9-5-10-16-30)33-19-22-40(23-20-33)28-32-25-34(26-35(32)31-17-11-6-12-18-31)39(2)36(42)24-29-13-7-4-8-14-29;1-3-20-41(36(43)38-25-27-10-6-4-7-11-27)32-18-21-40(22-19-32)26-30-23-33(24-34(30)28-12-8-5-9-13-28)39(2)35(42)29-14-16-31(37)17-15-29;1-3-19-41(36(43)38-25-27-11-6-4-7-12-27)32-17-20-40(21-18-32)26-30-23-33(24-34(30)28-13-8-5-9-14-28)39(2)35(42)29-15-10-16-31(37)22-29;2*1-3-21-39(36(41)42-27-28-13-7-4-8-14-28)32-19-22-38(23-20-32)26-31-24-33(25-34(31)29-15-9-5-10-16-29)37(2)35(40)30-17-11-6-12-18-30/h4-16,22,30,32-34H,3,17-21,23-26H2,1-2H3,(H,41,46);4-18,32-35H,3,19-28H2,1-2H3,(H,38,43);4-17,30,32-34H,3,18-26H2,1-2H3,(H,38,43);4-16,22,30,32-34H,3,17-21,23-26H2,1-2H3,(H,38,43);5-6,9-12,15-18,28,31-34H,3-4,7-8,13-14,19-27H2,1-2H3;4-18,31-34H,3,19-27H2,1-2H3/t30-,33?,34-;32-,34?,35-;2*30-,33?,34-;2*31-,33?,34-/m111111/s1
InChIKeyHPYAUKPGJKIQRL-FBHWKDRCSA-N
MW3543.21 g/mol
LogP41.42
Rot. Bonds61

About benzyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-4-chloro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-3-fluoro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-2-phenylacetamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-3-(trifluoromethyl)benzamide;cyclohexylmethyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate

benzyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-4-chloro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-3-fluoro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-2-phenylacetamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-3-(trifluoromethyl)benzamide;cyclohexylmethyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate (PubChem CID 158552902) has the molecular formula C218H279ClF4N22O14 and a molecular weight of 3543.21 g/mol. Its IUPAC name is benzyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-4-chloro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-3-fluoro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-2-phenylacetamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-3-(trifluoromethyl)benzamide;cyclohexylmethyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate.

Molecular Properties

Compound Namebenzyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-4-chloro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-3-fluoro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-2-phenylacetamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-3-(trifluoromethyl)benzamide;cyclohexylmethyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate
PubChem CID158552902
Molecular FormulaC218H279ClF4N22O14
Molecular Weight3543.21 g/mol
Exact Mass3540.14
IUPAC Namebenzyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-4-chloro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-3-fluoro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-2-phenylacetamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-3-(trifluoromethyl)benzamide;cyclohexylmethyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate
SMILESCCCN(C(=O)NCc1ccccc1)C1CCN(C[C@H]2CC(N(C)C(=O)Cc3ccccc3)C[C@@H]2c2ccccc2)CC1.CCCN(C(=O)NCc1ccccc1)C1CCN(C[C@H]2CC(N(C)C(=O)c3ccc(Cl)cc3)C[C@@H]2c2ccccc2)CC1.CCCN(C(=O)NCc1ccccc1)C1CCN(C[C@H]2CC(N(C)C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]2c2ccccc2)CC1.CCCN(C(=O)NCc1ccccc1)C1CCN(C[C@H]2CC(N(C)C(=O)c3cccc(F)c3)C[C@@H]2c2ccccc2)CC1.CCCN(C(=O)OCC1CCCCC1)C1CCN(C[C@H]2CC(N(C)C(=O)c3ccccc3)C[C@@H]2c2ccccc2)CC1.CCCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CC(N(C)C(=O)c3ccccc3)C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C37H45F3N4O2.C37H48N4O2.C36H45ClN4O2.C36H45FN4O2.C36H51N3O3.C36H45N3O3/c1-3-19-44(36(46)41-25-27-11-6-4-7-12-27)32-17-20-43(21-18-32)26-30-23-33(24-34(30)28-13-8-5-9-14-28)42(2)35(45)29-15-10-16-31(22-29)37(38,39)40;1-3-21-41(37(43)38-27-30-15-9-5-10-16-30)33-19-22-40(23-20-33)28-32-25-34(26-35(32)31-17-11-6-12-18-31)39(2)36(42)24-29-13-7-4-8-14-29;1-3-20-41(36(43)38-25-27-10-6-4-7-11-27)32-18-21-40(22-19-32)26-30-23-33(24-34(30)28-12-8-5-9-13-28)39(2)35(42)29-14-16-31(37)17-15-29;1-3-19-41(36(43)38-25-27-11-6-4-7-12-27)32-17-20-40(21-18-32)26-30-23-33(24-34(30)28-13-8-5-9-14-28)39(2)35(42)29-15-10-16-31(37)22-29;2*1-3-21-39(36(41)42-27-28-13-7-4-8-14-28)32-19-22-38(23-20-32)26-31-24-33(25-34(31)29-15-9-5-10-16-29)37(2)35(40)30-17-11-6-12-18-30/h4-16,22,30,32-34H,3,17-21,23-26H2,1-2H3,(H,41,46);4-18,32-35H,3,19-28H2,1-2H3,(H,38,43);4-17,30,32-34H,3,18-26H2,1-2H3,(H,38,43);4-16,22,30,32-34H,3,17-21,23-26H2,1-2H3,(H,38,43);5-6,9-12,15-18,28,31-34H,3-4,7-8,13-14,19-27H2,1-2H3;4-18,31-34H,3,19-27H2,1-2H3/t30-,33?,34-;32-,34?,35-;2*30-,33?,34-;2*31-,33?,34-/m111111/s1
InChIKeyHPYAUKPGJKIQRL-FBHWKDRCSA-N
XLogP41.42
TPSA329.74 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds61
Heavy Atoms259
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003543.21
LogP ≤ 541.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze benzyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-4-chloro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-3-fluoro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-2-phenylacetamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-3-(trifluoromethyl)benzamide;cyclohexylmethyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate with MolForge

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Related Compounds

N-[3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzamide;hydrochloride
CID 70159263
N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylcyclohexanecarboxamide;N-methyl-N-[(3S,4S)-3-[[4-[(4-methylphenyl)methylcarbamoyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]benzamide
CID 91499440
benzyl N-[1-[[4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-butan-2-ylcarbamate
CID 70157140
(2R)-2-[[3-(3-fluorophenyl)-4-[[4-[(3-fluorophenyl)methoxycarbonyl-propylamino]piperidin-1-yl]methyl]cyclopentyl]-methylamino]-3-methylbutanoic acid;dihydrochloride
CID 70157447
(2R)-2-[(3S,4S)-3-[[4-[2-(benzylamino)-2-oxoethyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-[(3S,4S)-3-[[4-[(3-chlorophenyl)methylcarbamoyl-ethylamino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-[(3S,4S)-3-[[4-[(4-chlorophenyl)methylcarbamoyl-ethylamino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(3,4-dichlorophenyl)methylcarbamoyl-ethylamino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[(3,4-dichlorophenyl)methylcarbamoyl-propylamino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]acetic acid
CID 160604901
benzyl N-[1-[[4-[benzenesulfonyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-ethylcarbamate
CID 18345148
benzyl N-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylcarbamate;benzyl N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 90747890
(4-nitrophenyl)methyl N-[1-[[4-[methyl-(2-phenylacetyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-prop-2-enylcarbamate
CID 18372805
N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide
CID 22982753
1-[1-[[(1S)-4-(benzenesulfonamido)-2-phenylcyclopentyl]methyl]piperidin-4-yl]-3-benzyl-1-propylurea
CID 142033580
N-methyl-N-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]cyclopentyl]benzamide;hydrochloride
CID 70026533
2-[[3-[[4-[(4-fluorophenyl)methoxycarbonyl-propylamino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]amino]-4-methylpentanoic acid
CID 22890989

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-4-chloro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-3-fluoro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-2-phenylacetamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-3-(trifluoromethyl)benzamide;cyclohexylmethyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate?
The IUPAC name of benzyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-4-chloro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-3-fluoro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-2-phenylacetamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-3-(trifluoromethyl)benzamide;cyclohexylmethyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate (CID 158552902) is benzyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-4-chloro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-3-fluoro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-2-phenylacetamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-3-(trifluoromethyl)benzamide;cyclohexylmethyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate.
What is the SMILES notation for benzyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-4-chloro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-3-fluoro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-2-phenylacetamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-3-(trifluoromethyl)benzamide;cyclohexylmethyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate?
The canonical SMILES for benzyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-4-chloro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-3-fluoro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-2-phenylacetamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-3-(trifluoromethyl)benzamide;cyclohexylmethyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate is CCCN(C(=O)NCc1ccccc1)C1CCN(C[C@H]2CC(N(C)C(=O)Cc3ccccc3)C[C@@H]2c2ccccc2)CC1.CCCN(C(=O)NCc1ccccc1)C1CCN(C[C@H]2CC(N(C)C(=O)c3ccc(Cl)cc3)C[C@@H]2c2ccccc2)CC1.CCCN(C(=O)NCc1ccccc1)C1CCN(C[C@H]2CC(N(C)C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]2c2ccccc2)CC1.CCCN(C(=O)NCc1ccccc1)C1CCN(C[C@H]2CC(N(C)C(=O)c3cccc(F)c3)C[C@@H]2c2ccccc2)CC1.CCCN(C(=O)OCC1CCCCC1)C1CCN(C[C@H]2CC(N(C)C(=O)c3ccccc3)C[C@@H]2c2ccccc2)CC1.CCCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CC(N(C)C(=O)c3ccccc3)C[C@@H]2c2ccccc2)CC1.
What is the InChIKey of benzyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-4-chloro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-3-fluoro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-2-phenylacetamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-3-(trifluoromethyl)benzamide;cyclohexylmethyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate?
The InChIKey is HPYAUKPGJKIQRL-FBHWKDRCSA-N. The full InChI is InChI=1S/C37H45F3N4O2.C37H48N4O2.C36H45ClN4O2.C36H45FN4O2.C36H51N3O3.C36H45N3O3/c1-3-19-44(36(46)41-25-27-11-6-4-7-12-27)32-17-20-43(21-18-32)26-30-23-33(24-34(30)28-13-8-5-9-14-28)42(2)35(45)29-15-10-16-31(22-29)37(38,39)40;1-3-21-41(37(43)38-27-30-15-9-5-10-16-30)33-19-22-40(23-20-33)28-32-25-34(26-35(32)31-17-11-6-12-18-31)39(2)36(42)24-29-13-7-4-8-14-29;1-3-20-41(36(43)38-25-27-10-6-4-7-11-27)32-18-21-40(22-19-32)26-30-23-33(24-34(30)28-12-8-5-9-13-28)39(2)35(42)29-14-16-31(37)17-15-29;1-3-19-41(36(43)38-25-27-11-6-4-7-12-27)32-17-20-40(21-18-32)26-30-23-33(24-34(30)28-13-8-5-9-14-28)39(2)35(42)29-15-10-16-31(37)22-29;2*1-3-21-39(36(41)42-27-28-13-7-4-8-14-28)32-19-22-38(23-20-32)26-31-24-33(25-34(31)29-15-9-5-10-16-29)37(2)35(40)30-17-11-6-12-18-30/h4-16,22,30,32-34H,3,17-21,23-26H2,1-2H3,(H,41,46);4-18,32-35H,3,19-28H2,1-2H3,(H,38,43);4-17,30,32-34H,3,18-26H2,1-2H3,(H,38,43);4-16,22,30,32-34H,3,17-21,23-26H2,1-2H3,(H,38,43);5-6,9-12,15-18,28,31-34H,3-4,7-8,13-14,19-27H2,1-2H3;4-18,31-34H,3,19-27H2,1-2H3/t30-,33?,34-;32-,34?,35-;2*30-,33?,34-;2*31-,33?,34-/m111111/s1.
What are the key properties of benzyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-4-chloro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-3-fluoro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-2-phenylacetamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-3-(trifluoromethyl)benzamide;cyclohexylmethyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate?
benzyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-4-chloro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-3-fluoro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-2-phenylacetamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-3-(trifluoromethyl)benzamide;cyclohexylmethyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate has a molecular weight of 3543.21 g/mol, XLogP of 41.42, 61 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-4-chloro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-3-fluoro-N-methylbenzamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-2-phenylacetamide;N-[(3S,4S)-3-[[4-[benzylcarbamoyl(propyl)amino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-3-(trifluoromethyl)benzamide;cyclohexylmethyl N-[1-[[(1S,2S)-4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-propylcarbamate is sourced from PubChem (CID 158552902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).