1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidine-4-carboxamide

C32H32ClN3O2 — CID 66571682

IUPAC1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCc2ccccc21)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C32H32ClN3O2/c33-27-13-9-22(10-14-27)21-36-29-8-4-2-6-25(29)19-30(36)32(38)35-17-15-24(16-18-35)31(37)34-20-26-12-11-23-5-1-3-7-28(23)26/h1-10,13-14,19,24,26H,11-12,15-18,20-21H2,(H,34,37)
InChIKeyAMRZXJHDCMEFCW-UHFFFAOYSA-N
MW526.08 g/mol
LogP6.04
Rot. Bonds6

About 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-1-ylmethyl)piperidine-4-carboxamide (PubChem CID 66571682) has the molecular formula C32H32ClN3O2 and a molecular weight of 526.08 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidine-4-carboxamide
PubChem CID66571682
Molecular FormulaC32H32ClN3O2
Molecular Weight526.08 g/mol
Exact Mass525.22
IUPAC Name1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCc2ccccc21)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C32H32ClN3O2/c33-27-13-9-22(10-14-27)21-36-29-8-4-2-6-25(29)19-30(36)32(38)35-17-15-24(16-18-35)31(37)34-20-26-12-11-23-5-1-3-7-28(23)26/h1-10,13-14,19,24,26H,11-12,15-18,20-21H2,(H,34,37)
InChIKeyAMRZXJHDCMEFCW-UHFFFAOYSA-N
XLogP6.04
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.08
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidine-4-carboxamide (CID 66571682) is 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidine-4-carboxamide is O=C(NCC1CCc2ccccc21)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidine-4-carboxamide?
The InChIKey is AMRZXJHDCMEFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32ClN3O2/c33-27-13-9-22(10-14-27)21-36-29-8-4-2-6-25(29)19-30(36)32(38)35-17-15-24(16-18-35)31(37)34-20-26-12-11-23-5-1-3-7-28(23)26/h1-10,13-14,19,24,26H,11-12,15-18,20-21H2,(H,34,37).
What are the key properties of 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-1-ylmethyl)piperidine-4-carboxamide has a molecular weight of 526.08 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 66571682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).