N-(4-chlorophenyl)-1-(1H-indazole-4-carbonyl)piperidine-3-carboxamide

C20H19ClN4O2 — CID 121317957

IUPACN-(4-chlorophenyl)-1-(1H-indazole-4-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cccc3[nH]ncc23)C1
InChIInChI=1S/C20H19ClN4O2/c21-14-6-8-15(9-7-14)23-19(26)13-3-2-10-25(12-13)20(27)16-4-1-5-18-17(16)11-22-24-18/h1,4-9,11,13H,2-3,10,12H2,(H,22,24)(H,23,26)
InChIKeyAKFSMEJHSFKUHS-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.71
Rot. Bonds3

About N-(4-chlorophenyl)-1-(1H-indazole-4-carbonyl)piperidine-3-carboxamide

N-(4-chlorophenyl)-1-(1H-indazole-4-carbonyl)piperidine-3-carboxamide (PubChem CID 121317957) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(1H-indazole-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(1H-indazole-4-carbonyl)piperidine-3-carboxamide
PubChem CID121317957
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-(4-chlorophenyl)-1-(1H-indazole-4-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cccc3[nH]ncc23)C1
InChIInChI=1S/C20H19ClN4O2/c21-14-6-8-15(9-7-14)23-19(26)13-3-2-10-25(12-13)20(27)16-4-1-5-18-17(16)11-22-24-18/h1,4-9,11,13H,2-3,10,12H2,(H,22,24)(H,23,26)
InChIKeyAKFSMEJHSFKUHS-UHFFFAOYSA-N
XLogP3.71
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indazole-3-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide
CID 121354980
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
N-(4-chlorophenyl)-1-(3-isocyanobenzoyl)piperidine-3-carboxamide
CID 153485736
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
1-(2-oxo-1H-pyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 16872669
1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18124202
N-(6-amino-3-pyridinyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119515373
1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 50804302
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
N-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55429914
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(1H-indazole-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(1H-indazole-4-carbonyl)piperidine-3-carboxamide (CID 121317957) is N-(4-chlorophenyl)-1-(1H-indazole-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(1H-indazole-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(1H-indazole-4-carbonyl)piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cccc3[nH]ncc23)C1.
What is the InChIKey of N-(4-chlorophenyl)-1-(1H-indazole-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is AKFSMEJHSFKUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-14-6-8-15(9-7-14)23-19(26)13-3-2-10-25(12-13)20(27)16-4-1-5-18-17(16)11-22-24-18/h1,4-9,11,13H,2-3,10,12H2,(H,22,24)(H,23,26).
What are the key properties of N-(4-chlorophenyl)-1-(1H-indazole-4-carbonyl)piperidine-3-carboxamide?
N-(4-chlorophenyl)-1-(1H-indazole-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(1H-indazole-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 121317957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).