1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide

C26H23Cl2N3O3 — CID 46439094

IUPAC1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1NC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C26H23Cl2N3O3/c27-20-11-7-17(8-12-20)24(32)29-22-5-1-2-6-23(22)30-25(33)19-4-3-15-31(16-19)26(34)18-9-13-21(28)14-10-18/h1-2,5-14,19H,3-4,15-16H2,(H,29,32)(H,30,33)
InChIKeyUSKKSYZIFBDPPB-UHFFFAOYSA-N
MW496.39 g/mol
LogP5.74
Rot. Bonds5

About 1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide (PubChem CID 46439094) has the molecular formula C26H23Cl2N3O3 and a molecular weight of 496.39 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide
PubChem CID46439094
Molecular FormulaC26H23Cl2N3O3
Molecular Weight496.39 g/mol
Exact Mass495.11
IUPAC Name1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1NC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C26H23Cl2N3O3/c27-20-11-7-17(8-12-20)24(32)29-22-5-1-2-6-23(22)30-25(33)19-4-3-15-31(16-19)26(34)18-9-13-21(28)14-10-18/h1-2,5-14,19H,3-4,15-16H2,(H,29,32)(H,30,33)
InChIKeyUSKKSYZIFBDPPB-UHFFFAOYSA-N
XLogP5.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.39
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2-benzylphenyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 2161170
N-(2-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272015
1-(4-chlorobenzoyl)-N-(4-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 134062571
1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119439295
(3R)-1-(4-chlorobenzoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 39996060
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 3410633
N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46485417
(3S)-1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 26735004
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
1-(4-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 51188759
(3S)-1-(4-chlorobenzoyl)-N-(5-chloro-2-morpholin-4-ylphenyl)piperidine-3-carboxamide
CID 41136127

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide (CID 46439094) is 1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide is O=C(Nc1ccccc1NC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide?
The InChIKey is USKKSYZIFBDPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N3O3/c27-20-11-7-17(8-12-20)24(32)29-22-5-1-2-6-23(22)30-25(33)19-4-3-15-31(16-19)26(34)18-9-13-21(28)14-10-18/h1-2,5-14,19H,3-4,15-16H2,(H,29,32)(H,30,33).
What are the key properties of 1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide has a molecular weight of 496.39 g/mol, XLogP of 5.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 46439094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).