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

C111H117Cl2F2N11O6 — CID 158075700

IUPACN-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
SMILESCC(c1ccccc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(F)cc2)CC1.Cc1cccc(CNC(=O)C2CCN(C(=O)c3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)c1.O=C(NCc1ccccc1)C1CCN(C(=O)c2cccn2Cc2ccc(Cl)cc2)CC1.O=C(c1cc2ccccc2n1Cc1ccc(F)cc1)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C30H30ClN3O2.C29H29FN2O.C27H32FN3O.C25H26ClN3O2/c1-21-5-4-6-23(17-21)19-32-29(35)24-13-15-33(16-14-24)30(36)28-18-25-7-2-3-8-27(25)34(28)20-22-9-11-26(31)12-10-22;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;26-22-10-8-20(9-11-22)18-29-14-4-7-23(29)25(31)28-15-12-21(13-16-28)24(30)27-17-19-5-2-1-3-6-19/h2-12,17-18,24H,13-16,19-20H2,1H3,(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;1-11,14,21H,12-13,15-18H2,(H,27,30)
InChIKeyFMIPJGWURSSZRJ-UHFFFAOYSA-N
MW1810.13 g/mol
LogP21.83
Rot. Bonds22

About 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

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 (PubChem CID 158075700) has the molecular formula C111H117Cl2F2N11O6 and a molecular weight of 1810.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID158075700
Molecular FormulaC111H117Cl2F2N11O6
Molecular Weight1810.13 g/mol
Exact Mass1807.85
IUPAC NameN-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
SMILESCC(c1ccccc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(F)cc2)CC1.Cc1cccc(CNC(=O)C2CCN(C(=O)c3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)c1.O=C(NCc1ccccc1)C1CCN(C(=O)c2cccn2Cc2ccc(Cl)cc2)CC1.O=C(c1cc2ccccc2n1Cc1ccc(F)cc1)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C30H30ClN3O2.C29H29FN2O.C27H32FN3O.C25H26ClN3O2/c1-21-5-4-6-23(17-21)19-32-29(35)24-13-15-33(16-14-24)30(36)28-18-25-7-2-3-8-27(25)34(28)20-22-9-11-26(31)12-10-22;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;26-22-10-8-20(9-11-22)18-29-14-4-7-23(29)25(31)28-15-12-21(13-16-28)24(30)27-17-19-5-2-1-3-6-19/h2-12,17-18,24H,13-16,19-20H2,1H3,(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;1-11,14,21H,12-13,15-18H2,(H,27,30)
InChIKeyFMIPJGWURSSZRJ-UHFFFAOYSA-N
XLogP21.83
TPSA162.40 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001810.13
LogP ≤ 521.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

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CID 87586961
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CID 138611891
CID 138611891
5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[2,4-bis(difluoromethyl)pyrrol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]-1-(3,5-difluorophenyl)-4-oxoheptan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(c1ccccc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(F)cc2)CC1.Cc1cccc(CNC(=O)C2CCN(C(=O)c3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)c1.O=C(NCc1ccccc1)C1CCN(C(=O)c2cccn2Cc2ccc(Cl)cc2)CC1.O=C(c1cc2ccccc2n1Cc1ccc(F)cc1)N1CCC(CN2CCCCC2)CC1.
What is the InChIKey of 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?
The InChIKey is FMIPJGWURSSZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClN3O2.C29H29FN2O.C27H32FN3O.C25H26ClN3O2/c1-21-5-4-6-23(17-21)19-32-29(35)24-13-15-33(16-14-24)30(36)28-18-25-7-2-3-8-27(25)34(28)20-22-9-11-26(31)12-10-22;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;26-22-10-8-20(9-11-22)18-29-14-4-7-23(29)25(31)28-15-12-21(13-16-28)24(30)27-17-19-5-2-1-3-6-19/h2-12,17-18,24H,13-16,19-20H2,1H3,(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;1-11,14,21H,12-13,15-18H2,(H,27,30).
What are the key properties of 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?
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 has a molecular weight of 1810.13 g/mol, XLogP of 21.83, 22 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158075700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).