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

C33H34ClN3O2 — CID 66571629

IUPAC1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)C1Cc2ccccc2C1
InChIInChI=1S/C33H34ClN3O2/c1-22(28-18-25-6-2-3-7-26(25)19-28)35-32(38)24-14-16-36(17-15-24)33(39)31-20-27-8-4-5-9-30(27)37(31)21-23-10-12-29(34)13-11-23/h2-13,20,22,24,28H,14-19,21H2,1H3,(H,35,38)
InChIKeyCKMDGYLXJNSBMP-UHFFFAOYSA-N
MW540.11 g/mol
LogP6.11
Rot. Bonds6

About 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-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 66571629) has the molecular formula C33H34ClN3O2 and a molecular weight of 540.11 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID66571629
Molecular FormulaC33H34ClN3O2
Molecular Weight540.11 g/mol
Exact Mass539.23
IUPAC Name1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)C1Cc2ccccc2C1
InChIInChI=1S/C33H34ClN3O2/c1-22(28-18-25-6-2-3-7-26(25)19-28)35-32(38)24-14-16-36(17-15-24)33(39)31-20-27-8-4-5-9-30(27)37(31)21-23-10-12-29(34)13-11-23/h2-13,20,22,24,28H,14-19,21H2,1H3,(H,35,38)
InChIKeyCKMDGYLXJNSBMP-UHFFFAOYSA-N
XLogP6.11
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.11
LogP ≤ 56.11
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-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidine-4-carboxamide (CID 66571629) is 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidine-4-carboxamide is CC(NC(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)C1Cc2ccccc2C1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is CKMDGYLXJNSBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34ClN3O2/c1-22(28-18-25-6-2-3-7-26(25)19-28)35-32(38)24-14-16-36(17-15-24)33(39)31-20-27-8-4-5-9-30(27)37(31)21-23-10-12-29(34)13-11-23/h2-13,20,22,24,28H,14-19,21H2,1H3,(H,35,38).
What are the key properties of 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-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 540.11 g/mol, XLogP of 6.11, 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-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 66571629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).