N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;(4-benzylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[(2R)-2-ethylpyrrolidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-piperidin-1-ylethenyl)piperidin-1-yl]methanone

C113H120Cl2F2N12O6 — CID 157351335

IUPACN-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;(4-benzylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[(2R)-2-ethylpyrrolidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-piperidin-1-ylethenyl)piperidin-1-yl]methanone
SMILESC=C(C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(F)cc2)CC1)N1CCCCC1.CC[C@@H]1CCCN1C(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(c1cc2ccccc2n1Cc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C30H30ClN3O2.C28H32ClN3O2.C28H32FN3O.C27H26FN3O/c1-32(20-22-7-3-2-4-8-22)29(35)24-15-17-33(18-16-24)30(36)28-19-25-9-5-6-10-27(25)34(28)21-23-11-13-26(31)14-12-23;1-2-24-7-5-15-31(24)27(33)21-13-16-30(17-14-21)28(34)26-18-22-6-3-4-8-25(22)32(26)19-20-9-11-23(29)12-10-20;1-21(30-15-5-2-6-16-30)23-13-17-31(18-14-23)28(33)27-19-24-7-3-4-8-26(24)32(27)20-22-9-11-25(29)12-10-22;28-24-12-10-22(11-13-24)20-31-25-9-5-4-8-23(25)18-26(31)27(32)30-16-14-29(15-17-30)19-21-6-2-1-3-7-21/h2-14,19,24H,15-18,20-21H2,1H3;3-4,6,8-12,18,21,24H,2,5,7,13-17,19H2,1H3;3-4,7-12,19,23H,1-2,5-6,13-18,20H2;1-13,18H,14-17,19-20H2/t;24-;;/m.1../s1
InChIKeyBHOKXGOQANBGNT-FSWRCWGUSA-N
MW1851.18 g/mol
LogP21.92
Rot. Bonds21

About N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;(4-benzylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[(2R)-2-ethylpyrrolidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-piperidin-1-ylethenyl)piperidin-1-yl]methanone

N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;(4-benzylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[(2R)-2-ethylpyrrolidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-piperidin-1-ylethenyl)piperidin-1-yl]methanone (PubChem CID 157351335) has the molecular formula C113H120Cl2F2N12O6 and a molecular weight of 1851.18 g/mol. Its IUPAC name is N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;(4-benzylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[(2R)-2-ethylpyrrolidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-piperidin-1-ylethenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound NameN-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;(4-benzylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[(2R)-2-ethylpyrrolidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-piperidin-1-ylethenyl)piperidin-1-yl]methanone
PubChem CID157351335
Molecular FormulaC113H120Cl2F2N12O6
Molecular Weight1851.18 g/mol
Exact Mass1848.88
IUPAC NameN-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;(4-benzylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[(2R)-2-ethylpyrrolidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-piperidin-1-ylethenyl)piperidin-1-yl]methanone
SMILESC=C(C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(F)cc2)CC1)N1CCCCC1.CC[C@@H]1CCCN1C(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(c1cc2ccccc2n1Cc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C30H30ClN3O2.C28H32ClN3O2.C28H32FN3O.C27H26FN3O/c1-32(20-22-7-3-2-4-8-22)29(35)24-15-17-33(18-16-24)30(36)28-19-25-9-5-6-10-27(25)34(28)21-23-11-13-26(31)14-12-23;1-2-24-7-5-15-31(24)27(33)21-13-16-30(17-14-21)28(34)26-18-22-6-3-4-8-25(22)32(26)19-20-9-11-23(29)12-10-20;1-21(30-15-5-2-6-16-30)23-13-17-31(18-14-23)28(33)27-19-24-7-3-4-8-26(24)32(27)20-22-9-11-25(29)12-10-22;28-24-12-10-22(11-13-24)20-31-25-9-5-4-8-23(25)18-26(31)27(32)30-16-14-29(15-17-30)19-21-6-2-1-3-7-21/h2-14,19,24H,15-18,20-21H2,1H3;3-4,6,8-12,18,21,24H,2,5,7,13-17,19H2,1H3;3-4,7-12,19,23H,1-2,5-6,13-18,20H2;1-13,18H,14-17,19-20H2/t;24-;;/m.1../s1
InChIKeyBHOKXGOQANBGNT-FSWRCWGUSA-N
XLogP21.92
TPSA148.06 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001851.18
LogP ≤ 521.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;(4-benzylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[(2R)-2-ethylpyrrolidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-piperidin-1-ylethenyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(1-(4-chlorobenzyl)-1H-indol-2-yl)(4-(2-phenylpyrrolidine-1-carbonyl)piperidin-1-yl)methanone
CID 66571627
[1-(3-Chlorophenyl)-2-(4,4-difluoropiperidine-1-carbonyl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;4-[2-(4,4-difluoropiperidine-1-carbonyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)indol-1-yl]benzonitrile
CID 87539453
2-[4-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]benzonitrile;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,5-dimethylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[(2S)-4-(3,4-difluorophenyl)-2-methylpiperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 157221937
[1-(4-Chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-fluorophenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 157809192
(5-chloro-1H-indol-2-yl)-[4-[[4-(1,1-difluoroethyl)-3-fluorophenyl]methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 157859090
N-ethyl-N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-(2-methyl-1-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-[[1-[2-methyl-1-(3-methylphenyl)propan-2-yl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide)
CID 158686266
(4-Tert-butylphenyl)-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone;(4-chlorophenyl)-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone;(2-methylphenyl)-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 159165558
1-[4-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperazin-1-yl]ethanone;1-[1-[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]ethanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[(3R,4R)-4-fluoro-3-methylpiperidin-1-yl]methanone;[2,4-dichloro-3-[[1-methyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 162017020
(2-chloro-4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(5-methylcyclohexa-1,3-dien-1-yl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone
CID 162129771
[1-(4-Chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-fluorophenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 165079590
6-(4-chloro-3-fluorophenyl)-8-fluoro-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-(3,4-dichlorophenyl)-8-fluoro-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;6-(3,5-difluorophenyl)-8-fluoro-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-fluoro-6-(3-fluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-fluoro-10-methyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 173534158
1,5-Bis[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]-2,4-bis(4-methylpiperazin-1-yl)pentan-3-one
CID 174548474

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;(4-benzylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[(2R)-2-ethylpyrrolidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-piperidin-1-ylethenyl)piperidin-1-yl]methanone?
The IUPAC name of N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;(4-benzylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[(2R)-2-ethylpyrrolidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-piperidin-1-ylethenyl)piperidin-1-yl]methanone (CID 157351335) is N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;(4-benzylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[(2R)-2-ethylpyrrolidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-piperidin-1-ylethenyl)piperidin-1-yl]methanone.
What is the SMILES notation for N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;(4-benzylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[(2R)-2-ethylpyrrolidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-piperidin-1-ylethenyl)piperidin-1-yl]methanone?
The canonical SMILES for N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;(4-benzylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[(2R)-2-ethylpyrrolidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-piperidin-1-ylethenyl)piperidin-1-yl]methanone is C=C(C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(F)cc2)CC1)N1CCCCC1.CC[C@@H]1CCCN1C(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(c1cc2ccccc2n1Cc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;(4-benzylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[(2R)-2-ethylpyrrolidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-piperidin-1-ylethenyl)piperidin-1-yl]methanone?
The InChIKey is BHOKXGOQANBGNT-FSWRCWGUSA-N. The full InChI is InChI=1S/C30H30ClN3O2.C28H32ClN3O2.C28H32FN3O.C27H26FN3O/c1-32(20-22-7-3-2-4-8-22)29(35)24-15-17-33(18-16-24)30(36)28-19-25-9-5-6-10-27(25)34(28)21-23-11-13-26(31)14-12-23;1-2-24-7-5-15-31(24)27(33)21-13-16-30(17-14-21)28(34)26-18-22-6-3-4-8-25(22)32(26)19-20-9-11-23(29)12-10-20;1-21(30-15-5-2-6-16-30)23-13-17-31(18-14-23)28(33)27-19-24-7-3-4-8-26(24)32(27)20-22-9-11-25(29)12-10-22;28-24-12-10-22(11-13-24)20-31-25-9-5-4-8-23(25)18-26(31)27(32)30-16-14-29(15-17-30)19-21-6-2-1-3-7-21/h2-14,19,24H,15-18,20-21H2,1H3;3-4,6,8-12,18,21,24H,2,5,7,13-17,19H2,1H3;3-4,7-12,19,23H,1-2,5-6,13-18,20H2;1-13,18H,14-17,19-20H2/t;24-;;/m.1../s1.
What are the key properties of N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;(4-benzylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[(2R)-2-ethylpyrrolidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-piperidin-1-ylethenyl)piperidin-1-yl]methanone?
N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;(4-benzylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[(2R)-2-ethylpyrrolidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-piperidin-1-ylethenyl)piperidin-1-yl]methanone has a molecular weight of 1851.18 g/mol, XLogP of 21.92, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;(4-benzylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[(2R)-2-ethylpyrrolidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-piperidin-1-ylethenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 157351335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).