1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-phenylpiperidine-4-carboxamide;methyl 3-[[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carbonyl]amino]benzoate

C117H111Cl4FN12O10 — CID 157432101

IUPAC1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-phenylpiperidine-4-carboxamide;methyl 3-[[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C2CCN(C(=O)c3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)c1.O=C(NCCc1ccccc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(NCc1cccc(F)c1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(Nc1ccccc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C30H28ClN3O4.C30H30ClN3O2.C29H27ClFN3O2.C28H26ClN3O2/c1-38-30(37)23-6-4-7-25(17-23)32-28(35)21-13-15-33(16-14-21)29(36)27-18-22-5-2-3-8-26(22)34(27)19-20-9-11-24(31)12-10-20;31-26-12-10-23(11-13-26)21-34-27-9-5-4-8-25(27)20-28(34)30(36)33-18-15-24(16-19-33)29(35)32-17-14-22-6-2-1-3-7-22;30-24-10-8-20(9-11-24)19-34-26-7-2-1-5-23(26)17-27(34)29(36)33-14-12-22(13-15-33)28(35)32-18-21-4-3-6-25(31)16-21;29-23-12-10-20(11-13-23)19-32-25-9-5-4-6-22(25)18-26(32)28(34)31-16-14-21(15-17-31)27(33)30-24-7-2-1-3-8-24/h2-12,17-18,21H,13-16,19H2,1H3,(H,32,35);1-13,20,24H,14-19,21H2,(H,32,35);1-11,16-17,22H,12-15,18-19H2,(H,32,35);1-13,18,21H,14-17,19H2,(H,30,33)
InChIKeyBQQWWMAOZPTFGM-UHFFFAOYSA-N
MW2006.06 g/mol
LogP22.66
Rot. Bonds24

About 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-phenylpiperidine-4-carboxamide;methyl 3-[[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carbonyl]amino]benzoate

1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-phenylpiperidine-4-carboxamide;methyl 3-[[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carbonyl]amino]benzoate (PubChem CID 157432101) has the molecular formula C117H111Cl4FN12O10 and a molecular weight of 2006.06 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-phenylpiperidine-4-carboxamide;methyl 3-[[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-phenylpiperidine-4-carboxamide;methyl 3-[[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carbonyl]amino]benzoate
PubChem CID157432101
Molecular FormulaC117H111Cl4FN12O10
Molecular Weight2006.06 g/mol
Exact Mass2002.73
IUPAC Name1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-phenylpiperidine-4-carboxamide;methyl 3-[[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C2CCN(C(=O)c3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)c1.O=C(NCCc1ccccc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(NCc1cccc(F)c1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(Nc1ccccc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C30H28ClN3O4.C30H30ClN3O2.C29H27ClFN3O2.C28H26ClN3O2/c1-38-30(37)23-6-4-7-25(17-23)32-28(35)21-13-15-33(16-14-21)29(36)27-18-22-5-2-3-8-26(22)34(27)19-20-9-11-24(31)12-10-20;31-26-12-10-23(11-13-26)21-34-27-9-5-4-8-25(27)20-28(34)30(36)33-18-15-24(16-19-33)29(35)32-17-14-22-6-2-1-3-7-22;30-24-10-8-20(9-11-24)19-34-26-7-2-1-5-23(26)17-27(34)29(36)33-14-12-22(13-15-33)28(35)32-18-21-4-3-6-25(31)16-21;29-23-12-10-20(11-13-23)19-32-25-9-5-4-6-22(25)18-26(32)28(34)31-16-14-21(15-17-31)27(33)30-24-7-2-1-3-8-24/h2-12,17-18,21H,13-16,19H2,1H3,(H,32,35);1-13,20,24H,14-19,21H2,(H,32,35);1-11,16-17,22H,12-15,18-19H2,(H,32,35);1-13,18,21H,14-17,19H2,(H,30,33)
InChIKeyBQQWWMAOZPTFGM-UHFFFAOYSA-N
XLogP22.66
TPSA243.66 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002006.06
LogP ≤ 522.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-phenylpiperidine-4-carboxamide;methyl 3-[[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

Methyl 3-[[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carbonyl]amino]benzoate
CID 66571336
methyl 4-[4-(5-chloro-1H-indole-2-carbonyl)piperazine-1-carbonyl]benzoate;methyl 3-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]benzoate;methyl 4-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]benzoate
CID 117978625
[4-[(Benzylamino)methyl]piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 157107717
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-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 157317834
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
1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 157513891
bis(1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide);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
CID 157768470
N-benzyl-1-[1-[(4-chlorophenyl)methyl]-3-methylindole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydro-1H-inden-2-ylmethyl)piperidine-4-carboxamide
CID 157942363
N-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylpropyl)piperidine-4-carboxamide;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[[2-(4-methylphenyl)ethylamino]methyl]piperidin-1-yl]methanone
CID 157954445
N-benzyl-1-[1-[(4-chlorophenyl)methyl]pyrrole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(3-methylphenyl)methyl]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 158075700
[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-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-3-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 158118083
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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-phenylpiperidine-4-carboxamide;methyl 3-[[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carbonyl]amino]benzoate?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-phenylpiperidine-4-carboxamide;methyl 3-[[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carbonyl]amino]benzoate (CID 157432101) is 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-phenylpiperidine-4-carboxamide;methyl 3-[[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-phenylpiperidine-4-carboxamide;methyl 3-[[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-phenylpiperidine-4-carboxamide;methyl 3-[[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carbonyl]amino]benzoate is COC(=O)c1cccc(NC(=O)C2CCN(C(=O)c3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)c1.O=C(NCCc1ccccc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(NCc1cccc(F)c1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.O=C(Nc1ccccc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-phenylpiperidine-4-carboxamide;methyl 3-[[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carbonyl]amino]benzoate?
The InChIKey is BQQWWMAOZPTFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN3O4.C30H30ClN3O2.C29H27ClFN3O2.C28H26ClN3O2/c1-38-30(37)23-6-4-7-25(17-23)32-28(35)21-13-15-33(16-14-21)29(36)27-18-22-5-2-3-8-26(22)34(27)19-20-9-11-24(31)12-10-20;31-26-12-10-23(11-13-26)21-34-27-9-5-4-8-25(27)20-28(34)30(36)33-18-15-24(16-19-33)29(35)32-17-14-22-6-2-1-3-7-22;30-24-10-8-20(9-11-24)19-34-26-7-2-1-5-23(26)17-27(34)29(36)33-14-12-22(13-15-33)28(35)32-18-21-4-3-6-25(31)16-21;29-23-12-10-20(11-13-23)19-32-25-9-5-4-6-22(25)18-26(32)28(34)31-16-14-21(15-17-31)27(33)30-24-7-2-1-3-8-24/h2-12,17-18,21H,13-16,19H2,1H3,(H,32,35);1-13,20,24H,14-19,21H2,(H,32,35);1-11,16-17,22H,12-15,18-19H2,(H,32,35);1-13,18,21H,14-17,19H2,(H,30,33).
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-phenylpiperidine-4-carboxamide;methyl 3-[[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carbonyl]amino]benzoate?
1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-phenylpiperidine-4-carboxamide;methyl 3-[[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carbonyl]amino]benzoate has a molecular weight of 2006.06 g/mol, XLogP of 22.66, 24 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-phenylpiperidine-4-carboxamide;methyl 3-[[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 157432101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).