1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide

C23H22ClN5O3 — CID 55966834

IUPAC1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccccc2NC(=O)c2ccn(-c3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C23H22ClN5O3/c24-16-4-3-5-17(14-16)29-13-10-20(27-29)22(31)26-19-7-2-1-6-18(19)23(32)28-11-8-15(9-12-28)21(25)30/h1-7,10,13-15H,8-9,11-12H2,(H2,25,30)(H,26,31)
InChIKeyMOPMUIIKEMWWLC-UHFFFAOYSA-N
MW451.91 g/mol
LogP3.12
Rot. Bonds5

About 1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide

1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide (PubChem CID 55966834) has the molecular formula C23H22ClN5O3 and a molecular weight of 451.91 g/mol. Its IUPAC name is 1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide
PubChem CID55966834
Molecular FormulaC23H22ClN5O3
Molecular Weight451.91 g/mol
Exact Mass451.14
IUPAC Name1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccccc2NC(=O)c2ccn(-c3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C23H22ClN5O3/c24-16-4-3-5-17(14-16)29-13-10-20(27-29)22(31)26-19-7-2-1-6-18(19)23(32)28-11-8-15(9-12-28)21(25)30/h1-7,10,13-15H,8-9,11-12H2,(H2,25,30)(H,26,31)
InChIKeyMOPMUIIKEMWWLC-UHFFFAOYSA-N
XLogP3.12
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide
CID 95149478
1-[2-[(5-chloro-2-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55642498
1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 60544520
1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55645237
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-chlorophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 120820060
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119518136
1-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide
CID 55925377
N-(5-carbamoyl-2-methoxyphenyl)-1-(3-chlorophenyl)pyrazole-3-carboxamide
CID 55924906
4-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229443
1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidine-4-carboxamide
CID 5094742
1-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxamide
CID 60544490
(3R)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 124576615

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide (CID 55966834) is 1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)c2ccn(-c3cccc(Cl)c3)n2)CC1.
What is the InChIKey of 1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide?
The InChIKey is MOPMUIIKEMWWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O3/c24-16-4-3-5-17(14-16)29-13-10-20(27-29)22(31)26-19-7-2-1-6-18(19)23(32)28-11-8-15(9-12-28)21(25)30/h1-7,10,13-15H,8-9,11-12H2,(H2,25,30)(H,26,31).
What are the key properties of 1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide?
1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide has a molecular weight of 451.91 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55966834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).