N-[2-(4-chlorophenyl)ethyl]-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide

C30H29Cl2N3O2 — CID 66571402

IUPACN-[2-(4-chlorophenyl)ethyl]-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C30H29Cl2N3O2/c31-25-9-5-21(6-10-25)13-16-33-29(36)23-14-17-34(18-15-23)30(37)28-19-24-3-1-2-4-27(24)35(28)20-22-7-11-26(32)12-8-22/h1-12,19,23H,13-18,20H2,(H,33,36)
InChIKeyYVSRPYXDDIXRQP-UHFFFAOYSA-N
MW534.49 g/mol
LogP6.21
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide (PubChem CID 66571402) has the molecular formula C30H29Cl2N3O2 and a molecular weight of 534.49 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide
PubChem CID66571402
Molecular FormulaC30H29Cl2N3O2
Molecular Weight534.49 g/mol
Exact Mass533.16
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C30H29Cl2N3O2/c31-25-9-5-21(6-10-25)13-16-33-29(36)23-14-17-34(18-15-23)30(37)28-19-24-3-1-2-4-27(24)35(28)20-22-7-11-26(32)12-8-22/h1-12,19,23H,13-18,20H2,(H,33,36)
InChIKeyYVSRPYXDDIXRQP-UHFFFAOYSA-N
XLogP6.21
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.49
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide (CID 66571402) is N-[2-(4-chlorophenyl)ethyl]-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is YVSRPYXDDIXRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29Cl2N3O2/c31-25-9-5-21(6-10-25)13-16-33-29(36)23-14-17-34(18-15-23)30(37)28-19-24-3-1-2-4-27(24)35(28)20-22-7-11-26(32)12-8-22/h1-12,19,23H,13-18,20H2,(H,33,36).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 534.49 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 66571402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).