1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone

C114H119Cl2F2N13O6 — CID 158190436

IUPAC1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCC(c1ccccc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(F)cc2)CC1.O=C(NCCc1ccccn1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(NCCc1ccncc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(c1cc2ccccc2n1Cc1ccc(F)cc1)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/2C29H29ClN4O2.C29H29FN2O.C27H32FN3O/c30-24-10-8-21(9-11-24)20-34-26-7-2-1-5-23(26)19-27(34)29(36)33-17-13-22(14-18-33)28(35)32-16-12-25-6-3-4-15-31-25;30-25-7-5-22(6-8-25)20-34-26-4-2-1-3-24(26)19-27(34)29(36)33-17-12-23(13-18-33)28(35)32-16-11-21-9-14-31-15-10-21;1-21(23-7-3-2-4-8-23)24-15-17-31(18-16-24)29(33)28-19-25-9-5-6-10-27(25)32(28)20-22-11-13-26(30)14-12-22;28-24-10-8-21(9-11-24)20-31-25-7-3-2-6-23(25)18-26(31)27(32)30-16-12-22(13-17-30)19-29-14-4-1-5-15-29/h1-11,15,19,22H,12-14,16-18,20H2,(H,32,35);1-10,14-15,19,23H,11-13,16-18,20H2,(H,32,35);2-14,19,21,24H,15-18,20H2,1H3;2-3,6-11,18,22H,1,4-5,12-17,19-20H2
InChIKeyFZRMPCYZHMGEDC-UHFFFAOYSA-N
MW1876.19 g/mol
LogP21.55
Rot. Bonds24

About 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone

1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 158190436) has the molecular formula C114H119Cl2F2N13O6 and a molecular weight of 1876.19 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID158190436
Molecular FormulaC114H119Cl2F2N13O6
Molecular Weight1876.19 g/mol
Exact Mass1873.88
IUPAC Name1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCC(c1ccccc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(F)cc2)CC1.O=C(NCCc1ccccn1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(NCCc1ccncc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(c1cc2ccccc2n1Cc1ccc(F)cc1)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/2C29H29ClN4O2.C29H29FN2O.C27H32FN3O/c30-24-10-8-21(9-11-24)20-34-26-7-2-1-5-23(26)19-27(34)29(36)33-17-13-22(14-18-33)28(35)32-16-12-25-6-3-4-15-31-25;30-25-7-5-22(6-8-25)20-34-26-4-2-1-3-24(26)19-27(34)29(36)33-17-12-23(13-18-33)28(35)32-16-11-21-9-14-31-15-10-21;1-21(23-7-3-2-4-8-23)24-15-17-31(18-16-24)29(33)28-19-25-9-5-6-10-27(25)32(28)20-22-11-13-26(30)14-12-22;28-24-10-8-21(9-11-24)20-31-25-7-3-2-6-23(25)18-26(31)27(32)30-16-12-22(13-17-30)19-29-14-4-1-5-15-29/h1-11,15,19,22H,12-14,16-18,20H2,(H,32,35);1-10,14-15,19,23H,11-13,16-18,20H2,(H,32,35);2-14,19,21,24H,15-18,20H2,1H3;2-3,6-11,18,22H,1,4-5,12-17,19-20H2
InChIKeyFZRMPCYZHMGEDC-UHFFFAOYSA-N
XLogP21.55
TPSA188.18 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001876.19
LogP ≤ 521.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone
CID 70799314
N-[2-(4-chlorophenyl)ethyl]-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-3-ylmethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide
CID 161167025
5-(cyclopropanecarbonylamino)-1-[(3-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 83289572
(3R)-N-(2-pyridin-2-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96582429
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide
CID 124783119
1-N,1-N-dimethyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 47028685
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 20886797
(3S)-1-(1,5-dimethylindole-2-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 92633380
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20882882
1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 50807682
1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 50807756

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone (CID 158190436) is 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone is CC(c1ccccc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(F)cc2)CC1.O=C(NCCc1ccccn1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(NCCc1ccncc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(c1cc2ccccc2n1Cc1ccc(F)cc1)N1CCC(CN2CCCCC2)CC1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is FZRMPCYZHMGEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H29ClN4O2.C29H29FN2O.C27H32FN3O/c30-24-10-8-21(9-11-24)20-34-26-7-2-1-5-23(26)19-27(34)29(36)33-17-13-22(14-18-33)28(35)32-16-12-25-6-3-4-15-31-25;30-25-7-5-22(6-8-25)20-34-26-4-2-1-3-24(26)19-27(34)29(36)33-17-12-23(13-18-33)28(35)32-16-11-21-9-14-31-15-10-21;1-21(23-7-3-2-4-8-23)24-15-17-31(18-16-24)29(33)28-19-25-9-5-6-10-27(25)32(28)20-22-11-13-26(30)14-12-22;28-24-10-8-21(9-11-24)20-31-25-7-3-2-6-23(25)18-26(31)27(32)30-16-12-22(13-17-30)19-29-14-4-1-5-15-29/h1-11,15,19,22H,12-14,16-18,20H2,(H,32,35);1-10,14-15,19,23H,11-13,16-18,20H2,(H,32,35);2-14,19,21,24H,15-18,20H2,1H3;2-3,6-11,18,22H,1,4-5,12-17,19-20H2.
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?
1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 1876.19 g/mol, XLogP of 21.55, 24 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 158190436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).