N-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzamide;3-fluoro-N-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylmethanesulfonamide;N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]cyclopentyl]benzamide

C197H247F4N17O11S3 — CID 162144967

IUPACN-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzamide;3-fluoro-N-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylmethanesulfonamide;N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]cyclopentyl]benzamide
SMILESCCCN(c1ncccn1)C1CCN(C[C@H]2CC(N(C)C(=O)c3ccccc3)C[C@@H]2c2ccccc2)CC1.CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CC(N(C)C(=O)c3ccccc3)C[C@@H]2c2ccccc2)CC1.CN(C(=O)c1ccccc1)C1C[C@H](CN2CCC(CCCc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1.CN(C1C[C@H](CN2CCC(CCCc3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1)S(=O)(=O)c1cccc(F)c1.CN(C1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1)S(=O)(=O)c1ccccc1.CN(C1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1)S(C)(=O)=O
InChIInChI=1S/C37H44N4O.C34H40F2N2O.C33H40F2N2O2S.C33H42N2O3S.C32H41N5O.C28H40N2O3S/c1-3-41-36(25-33(38-41)23-28-13-7-4-8-14-28)30-19-21-40(22-20-30)27-32-24-34(26-35(32)29-15-9-5-10-16-29)39(2)37(42)31-17-11-6-12-18-31;1-37(34(39)27-9-3-2-4-10-27)32-22-29(33(23-32)28-11-6-12-31(36)21-28)24-38-19-17-26(18-20-38)8-5-7-25-13-15-30(35)16-14-25;1-36(40(38,39)32-12-6-11-30(35)22-32)31-21-28(33(23-31)27-9-3-2-4-10-27)24-37-19-17-26(18-20-37)8-5-7-25-13-15-29(34)16-14-25;1-34(39(37,38)31-17-9-4-10-18-31)30-24-29(32(25-30)28-15-7-3-8-16-28)26-35-22-20-33(36,21-23-35)19-11-14-27-12-5-2-6-13-27;1-3-19-37(32-33-17-10-18-34-32)28-15-20-36(21-16-28)24-27-22-29(23-30(27)25-11-6-4-7-12-25)35(2)31(38)26-13-8-5-9-14-26;1-29(34(2,32)33)26-20-25(27(21-26)24-13-7-4-8-14-24)22-30-18-16-28(31,17-19-30)15-9-12-23-10-5-3-6-11-23/h4-18,25,30,32,34-35H,3,19-24,26-27H2,1-2H3;2-4,6,9-16,21,26,29,32-33H,5,7-8,17-20,22-24H2,1H3;2-4,6,9-16,22,26,28,31,33H,5,7-8,17-21,23-24H2,1H3;2-10,12-13,15-18,29-30,32,36H,11,14,19-26H2,1H3;4-14,17-18,27-30H,3,15-16,19-24H2,1-2H3;3-8,10-11,13-14,25-27,31H,9,12,15-22H2,1-2H3/t32-,34?,35-;29-,32?,33-;28-,31?,33-;29-,30?,32-;27-,29?,30-;25-,26?,27-/m111111/s1
InChIKeyZKKVHOAEZGKXAY-OCROSPCESA-N
MW3201.44 g/mol
LogP36.73
Rot. Bonds56

About N-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzamide;3-fluoro-N-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylmethanesulfonamide;N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]cyclopentyl]benzamide

N-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzamide;3-fluoro-N-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylmethanesulfonamide;N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]cyclopentyl]benzamide (PubChem CID 162144967) has the molecular formula C197H247F4N17O11S3 and a molecular weight of 3201.44 g/mol. Its IUPAC name is N-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzamide;3-fluoro-N-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylmethanesulfonamide;N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]cyclopentyl]benzamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzamide;3-fluoro-N-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylmethanesulfonamide;N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]cyclopentyl]benzamide
PubChem CID162144967
Molecular FormulaC197H247F4N17O11S3
Molecular Weight3201.44 g/mol
Exact Mass3198.84
IUPAC NameN-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzamide;3-fluoro-N-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylmethanesulfonamide;N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]cyclopentyl]benzamide
SMILESCCCN(c1ncccn1)C1CCN(C[C@H]2CC(N(C)C(=O)c3ccccc3)C[C@@H]2c2ccccc2)CC1.CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CC(N(C)C(=O)c3ccccc3)C[C@@H]2c2ccccc2)CC1.CN(C(=O)c1ccccc1)C1C[C@H](CN2CCC(CCCc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1.CN(C1C[C@H](CN2CCC(CCCc3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1)S(=O)(=O)c1cccc(F)c1.CN(C1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1)S(=O)(=O)c1ccccc1.CN(C1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1)S(C)(=O)=O
InChIInChI=1S/C37H44N4O.C34H40F2N2O.C33H40F2N2O2S.C33H42N2O3S.C32H41N5O.C28H40N2O3S/c1-3-41-36(25-33(38-41)23-28-13-7-4-8-14-28)30-19-21-40(22-20-30)27-32-24-34(26-35(32)29-15-9-5-10-16-29)39(2)37(42)31-17-11-6-12-18-31;1-37(34(39)27-9-3-2-4-10-27)32-22-29(33(23-32)28-11-6-12-31(36)21-28)24-38-19-17-26(18-20-38)8-5-7-25-13-15-30(35)16-14-25;1-36(40(38,39)32-12-6-11-30(35)22-32)31-21-28(33(23-31)27-9-3-2-4-10-27)24-37-19-17-26(18-20-37)8-5-7-25-13-15-29(34)16-14-25;1-34(39(37,38)31-17-9-4-10-18-31)30-24-29(32(25-30)28-15-7-3-8-16-28)26-35-22-20-33(36,21-23-35)19-11-14-27-12-5-2-6-13-27;1-3-19-37(32-33-17-10-18-34-32)28-15-20-36(21-16-28)24-27-22-29(23-30(27)25-11-6-4-7-12-25)35(2)31(38)26-13-8-5-9-14-26;1-29(34(2,32)33)26-20-25(27(21-26)24-13-7-4-8-14-24)22-30-18-16-28(31,17-19-30)15-9-12-23-10-5-3-6-11-23/h4-18,25,30,32,34-35H,3,19-24,26-27H2,1-2H3;2-4,6,9-16,21,26,29,32-33H,5,7-8,17-20,22-24H2,1H3;2-4,6,9-16,22,26,28,31,33H,5,7-8,17-21,23-24H2,1H3;2-10,12-13,15-18,29-30,32,36H,11,14,19-26H2,1H3;4-14,17-18,27-30H,3,15-16,19-24H2,1-2H3;3-8,10-11,13-14,25-27,31H,9,12,15-22H2,1-2H3/t32-,34?,35-;29-,32?,33-;28-,31?,33-;29-,30?,32-;27-,29?,30-;25-,26?,27-/m111111/s1
InChIKeyZKKVHOAEZGKXAY-OCROSPCESA-N
XLogP36.73
TPSA279.81 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds56
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003201.44
LogP ≤ 536.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze N-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzamide;3-fluoro-N-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylmethanesulfonamide;N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]cyclopentyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzamide;N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide
CID 91356325
(2R)-2-[[(1R,3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]-methylamino]-3-methylbutanoic acid
CID 5481119
(2R)-2-[[3-[[4-[1-ethyl-3-[[4-(trifluoromethylsulfonyl)phenyl]methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]-methylamino]-3-methylbutanoic acid;trihydrochloride
CID 173185263
N-methyl-N-[(1R,3S,4S)-3-phenyl-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]cyclopentyl]benzenesulfonamide
CID 70032518
(2R,3R)-2-[[(1R,3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]-methylamino]-3-methylpentanoic acid
CID 59076726
N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide
CID 22982753
(2R)-2-[[(1R,3S,4S)-3-[[4-[1-ethyl-3-[(4-methylphenyl)methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]-methylamino]-3-methylbutanoic acid
CID 59880129
(2R)-2-[[(3S,4S)-3-[[4-[1-ethyl-3-[(4-methylphenyl)methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]-methylamino]-4-methylpentanoic acid;trihydrochloride
CID 21136059
(2R)-2-[[(1R,3S,4S)-3-[[4-[3-[(3,5-difluorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]-methylamino]-3-methylbutanoic acid
CID 59076711
(2R)-2-[[3-[[4-[3-[(3,5-difluorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]-methylamino]-3-methylbutanoic acid;trihydrochloride
CID 173184507
N-[3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methyl-4-(trifluoromethoxy)benzenesulfonamide
CID 22982736
(2R)-2-[[(1R,3S,4S)-3-[[4-[3-(1-benzofuran-5-ylmethyl)-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]-methylamino]-3-methylbutanoic acid
CID 59076706

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzamide;3-fluoro-N-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylmethanesulfonamide;N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]cyclopentyl]benzamide?
The IUPAC name of N-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzamide;3-fluoro-N-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylmethanesulfonamide;N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]cyclopentyl]benzamide (CID 162144967) is N-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzamide;3-fluoro-N-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylmethanesulfonamide;N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]cyclopentyl]benzamide.
What is the SMILES notation for N-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzamide;3-fluoro-N-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylmethanesulfonamide;N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]cyclopentyl]benzamide?
The canonical SMILES for N-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzamide;3-fluoro-N-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylmethanesulfonamide;N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]cyclopentyl]benzamide is CCCN(c1ncccn1)C1CCN(C[C@H]2CC(N(C)C(=O)c3ccccc3)C[C@@H]2c2ccccc2)CC1.CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CC(N(C)C(=O)c3ccccc3)C[C@@H]2c2ccccc2)CC1.CN(C(=O)c1ccccc1)C1C[C@H](CN2CCC(CCCc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1.CN(C1C[C@H](CN2CCC(CCCc3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1)S(=O)(=O)c1cccc(F)c1.CN(C1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1)S(=O)(=O)c1ccccc1.CN(C1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1)S(C)(=O)=O.
What is the InChIKey of N-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzamide;3-fluoro-N-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylmethanesulfonamide;N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]cyclopentyl]benzamide?
The InChIKey is ZKKVHOAEZGKXAY-OCROSPCESA-N. The full InChI is InChI=1S/C37H44N4O.C34H40F2N2O.C33H40F2N2O2S.C33H42N2O3S.C32H41N5O.C28H40N2O3S/c1-3-41-36(25-33(38-41)23-28-13-7-4-8-14-28)30-19-21-40(22-20-30)27-32-24-34(26-35(32)29-15-9-5-10-16-29)39(2)37(42)31-17-11-6-12-18-31;1-37(34(39)27-9-3-2-4-10-27)32-22-29(33(23-32)28-11-6-12-31(36)21-28)24-38-19-17-26(18-20-38)8-5-7-25-13-15-30(35)16-14-25;1-36(40(38,39)32-12-6-11-30(35)22-32)31-21-28(33(23-31)27-9-3-2-4-10-27)24-37-19-17-26(18-20-37)8-5-7-25-13-15-29(34)16-14-25;1-34(39(37,38)31-17-9-4-10-18-31)30-24-29(32(25-30)28-15-7-3-8-16-28)26-35-22-20-33(36,21-23-35)19-11-14-27-12-5-2-6-13-27;1-3-19-37(32-33-17-10-18-34-32)28-15-20-36(21-16-28)24-27-22-29(23-30(27)25-11-6-4-7-12-25)35(2)31(38)26-13-8-5-9-14-26;1-29(34(2,32)33)26-20-25(27(21-26)24-13-7-4-8-14-24)22-30-18-16-28(31,17-19-30)15-9-12-23-10-5-3-6-11-23/h4-18,25,30,32,34-35H,3,19-24,26-27H2,1-2H3;2-4,6,9-16,21,26,29,32-33H,5,7-8,17-20,22-24H2,1H3;2-4,6,9-16,22,26,28,31,33H,5,7-8,17-21,23-24H2,1H3;2-10,12-13,15-18,29-30,32,36H,11,14,19-26H2,1H3;4-14,17-18,27-30H,3,15-16,19-24H2,1-2H3;3-8,10-11,13-14,25-27,31H,9,12,15-22H2,1-2H3/t32-,34?,35-;29-,32?,33-;28-,31?,33-;29-,30?,32-;27-,29?,30-;25-,26?,27-/m111111/s1.
What are the key properties of N-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzamide;3-fluoro-N-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylmethanesulfonamide;N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]cyclopentyl]benzamide?
N-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzamide;3-fluoro-N-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylmethanesulfonamide;N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]cyclopentyl]benzamide has a molecular weight of 3201.44 g/mol, XLogP of 36.73, 56 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzamide;3-fluoro-N-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzenesulfonamide;N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylmethanesulfonamide;N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-[propyl(pyrimidin-2-yl)amino]piperidin-1-yl]methyl]cyclopentyl]benzamide is sourced from PubChem (CID 162144967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).