5-(4-benzylpiperidine-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-3-carboxamide;5-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]-1H-indole-3-carboxamide;[3-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-(4-benzylpiperidin-1-yl)methanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone

C118H121F4N11O10 — CID 159533361

IUPAC5-(4-benzylpiperidine-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-3-carboxamide;5-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]-1H-indole-3-carboxamide;[3-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-(4-benzylpiperidin-1-yl)methanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone
SMILESCOc1ccc(CCNC(=O)c2c[nH]c3ccc(C(=O)N4CCC(Cc5ccccc5)CC4)cc23)cc1OC.O=C(NCc1ccc(F)cc1)c1c[nH]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc12.O=C(c1ccc2[nH]cc(C(=O)C(F)(F)F)c2c1)N1CCC(Cc2ccccc2)CC1.O=C(c1ccc2[nH]cc(C(=O)N3CCC(Cc4ccccc4)CC3)c2c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C34H37N3O2.C32H35N3O4.C29H28FN3O2.C23H21F3N2O2/c38-33(36-17-13-27(14-18-36)21-25-7-3-1-4-8-25)29-11-12-32-30(23-29)31(24-35-32)34(39)37-19-15-28(16-20-37)22-26-9-5-2-6-10-26;1-38-29-11-8-23(19-30(29)39-2)12-15-33-31(36)27-21-34-28-10-9-25(20-26(27)28)32(37)35-16-13-24(14-17-35)18-22-6-4-3-5-7-22;30-24-9-6-22(7-10-24)18-32-28(34)26-19-31-27-11-8-23(17-25(26)27)29(35)33-14-12-21(13-15-33)16-20-4-2-1-3-5-20;24-23(25,26)21(29)19-14-27-20-7-6-17(13-18(19)20)22(30)28-10-8-16(9-11-28)12-15-4-2-1-3-5-15/h1-12,23-24,27-28,35H,13-22H2;3-11,19-21,24,34H,12-18H2,1-2H3,(H,33,36);1-11,17,19,21,31H,12-16,18H2,(H,32,34);1-7,13-14,16,27H,8-12H2
InChIKeyMDGYXFKKOHKCTM-UHFFFAOYSA-N
MW1929.32 g/mol
LogP21.95
Rot. Bonds25

About 5-(4-benzylpiperidine-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-3-carboxamide;5-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]-1H-indole-3-carboxamide;[3-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-(4-benzylpiperidin-1-yl)methanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone

5-(4-benzylpiperidine-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-3-carboxamide;5-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]-1H-indole-3-carboxamide;[3-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-(4-benzylpiperidin-1-yl)methanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone (PubChem CID 159533361) has the molecular formula C118H121F4N11O10 and a molecular weight of 1929.32 g/mol. Its IUPAC name is 5-(4-benzylpiperidine-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-3-carboxamide;5-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]-1H-indole-3-carboxamide;[3-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-(4-benzylpiperidin-1-yl)methanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name5-(4-benzylpiperidine-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-3-carboxamide;5-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]-1H-indole-3-carboxamide;[3-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-(4-benzylpiperidin-1-yl)methanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone
PubChem CID159533361
Molecular FormulaC118H121F4N11O10
Molecular Weight1929.32 g/mol
Exact Mass1927.92
IUPAC Name5-(4-benzylpiperidine-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-3-carboxamide;5-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]-1H-indole-3-carboxamide;[3-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-(4-benzylpiperidin-1-yl)methanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone
SMILESCOc1ccc(CCNC(=O)c2c[nH]c3ccc(C(=O)N4CCC(Cc5ccccc5)CC4)cc23)cc1OC.O=C(NCc1ccc(F)cc1)c1c[nH]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc12.O=C(c1ccc2[nH]cc(C(=O)C(F)(F)F)c2c1)N1CCC(Cc2ccccc2)CC1.O=C(c1ccc2[nH]cc(C(=O)N3CCC(Cc4ccccc4)CC3)c2c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C34H37N3O2.C32H35N3O4.C29H28FN3O2.C23H21F3N2O2/c38-33(36-17-13-27(14-18-36)21-25-7-3-1-4-8-25)29-11-12-32-30(23-29)31(24-35-32)34(39)37-19-15-28(16-20-37)22-26-9-5-2-6-10-26;1-38-29-11-8-23(19-30(29)39-2)12-15-33-31(36)27-21-34-28-10-9-25(20-26(27)28)32(37)35-16-13-24(14-17-35)18-22-6-4-3-5-7-22;30-24-9-6-22(7-10-24)18-32-28(34)26-19-31-27-11-8-23(17-25(26)27)29(35)33-14-12-21(13-15-33)16-20-4-2-1-3-5-20;24-23(25,26)21(29)19-14-27-20-7-6-17(13-18(19)20)22(30)28-10-8-16(9-11-28)12-15-4-2-1-3-5-15/h1-12,23-24,27-28,35H,13-22H2;3-11,19-21,24,34H,12-18H2,1-2H3,(H,33,36);1-11,17,19,21,31H,12-16,18H2,(H,32,34);1-7,13-14,16,27H,8-12H2
InChIKeyMDGYXFKKOHKCTM-UHFFFAOYSA-N
XLogP21.95
TPSA258.44 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms143
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001929.32
LogP ≤ 521.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 5-(4-benzylpiperidine-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-3-carboxamide;5-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]-1H-indole-3-carboxamide;[3-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-(4-benzylpiperidin-1-yl)methanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone 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

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidine-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-3-carboxamide;5-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]-1H-indole-3-carboxamide;[3-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-(4-benzylpiperidin-1-yl)methanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 5-(4-benzylpiperidine-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-3-carboxamide;5-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]-1H-indole-3-carboxamide;[3-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-(4-benzylpiperidin-1-yl)methanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone (CID 159533361) is 5-(4-benzylpiperidine-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-3-carboxamide;5-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]-1H-indole-3-carboxamide;[3-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-(4-benzylpiperidin-1-yl)methanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 5-(4-benzylpiperidine-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-3-carboxamide;5-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]-1H-indole-3-carboxamide;[3-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-(4-benzylpiperidin-1-yl)methanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 5-(4-benzylpiperidine-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-3-carboxamide;5-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]-1H-indole-3-carboxamide;[3-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-(4-benzylpiperidin-1-yl)methanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone is COc1ccc(CCNC(=O)c2c[nH]c3ccc(C(=O)N4CCC(Cc5ccccc5)CC4)cc23)cc1OC.O=C(NCc1ccc(F)cc1)c1c[nH]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc12.O=C(c1ccc2[nH]cc(C(=O)C(F)(F)F)c2c1)N1CCC(Cc2ccccc2)CC1.O=C(c1ccc2[nH]cc(C(=O)N3CCC(Cc4ccccc4)CC3)c2c1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 5-(4-benzylpiperidine-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-3-carboxamide;5-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]-1H-indole-3-carboxamide;[3-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-(4-benzylpiperidin-1-yl)methanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone?
The InChIKey is MDGYXFKKOHKCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O2.C32H35N3O4.C29H28FN3O2.C23H21F3N2O2/c38-33(36-17-13-27(14-18-36)21-25-7-3-1-4-8-25)29-11-12-32-30(23-29)31(24-35-32)34(39)37-19-15-28(16-20-37)22-26-9-5-2-6-10-26;1-38-29-11-8-23(19-30(29)39-2)12-15-33-31(36)27-21-34-28-10-9-25(20-26(27)28)32(37)35-16-13-24(14-17-35)18-22-6-4-3-5-7-22;30-24-9-6-22(7-10-24)18-32-28(34)26-19-31-27-11-8-23(17-25(26)27)29(35)33-14-12-21(13-15-33)16-20-4-2-1-3-5-20;24-23(25,26)21(29)19-14-27-20-7-6-17(13-18(19)20)22(30)28-10-8-16(9-11-28)12-15-4-2-1-3-5-15/h1-12,23-24,27-28,35H,13-22H2;3-11,19-21,24,34H,12-18H2,1-2H3,(H,33,36);1-11,17,19,21,31H,12-16,18H2,(H,32,34);1-7,13-14,16,27H,8-12H2.
What are the key properties of 5-(4-benzylpiperidine-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-3-carboxamide;5-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]-1H-indole-3-carboxamide;[3-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-(4-benzylpiperidin-1-yl)methanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone?
5-(4-benzylpiperidine-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-3-carboxamide;5-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]-1H-indole-3-carboxamide;[3-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-(4-benzylpiperidin-1-yl)methanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone has a molecular weight of 1929.32 g/mol, XLogP of 21.95, 25 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidine-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-3-carboxamide;5-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]-1H-indole-3-carboxamide;[3-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-(4-benzylpiperidin-1-yl)methanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 159533361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).