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

C21H22N4O2 — CID 121354980

IUPAC1-(1H-indazole-3-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3n[nH]c4ccccc34)C2)cc1
InChIInChI=1S/C21H22N4O2/c1-14-8-10-16(11-9-14)22-20(26)15-5-4-12-25(13-15)21(27)19-17-6-2-3-7-18(17)23-24-19/h2-3,6-11,15H,4-5,12-13H2,1H3,(H,22,26)(H,23,24)
InChIKeyGTMVQVMWLMISKU-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.36
Rot. Bonds3

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

1-(1H-indazole-3-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide (PubChem CID 121354980) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(1H-indazole-3-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-indazole-3-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide
PubChem CID121354980
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-(1H-indazole-3-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3n[nH]c4ccccc34)C2)cc1
InChIInChI=1S/C21H22N4O2/c1-14-8-10-16(11-9-14)22-20(26)15-5-4-12-25(13-15)21(27)19-17-6-2-3-7-18(17)23-24-19/h2-3,6-11,15H,4-5,12-13H2,1H3,(H,22,26)(H,23,24)
InChIKeyGTMVQVMWLMISKU-UHFFFAOYSA-N
XLogP3.36
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indazole-3-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 170858636
methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate
CID 78918912
N-(5-methyl-2-pyridinyl)-1-(4-oxo-3H-phthalazine-1-carbonyl)piperidine-3-carboxamide
CID 154834464
methyl 4-[[1-(1H-indazole-3-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 16866419
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid
CID 124698920
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate
CID 47340273
N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 42959912
N-(2,4-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide
CID 16866424
N-(2,5-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide
CID 16866425
N-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079181
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazole-3-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1H-indazole-3-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide (CID 121354980) is 1-(1H-indazole-3-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1H-indazole-3-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1H-indazole-3-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(C(=O)c3n[nH]c4ccccc34)C2)cc1.
What is the InChIKey of 1-(1H-indazole-3-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide?
The InChIKey is GTMVQVMWLMISKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-8-10-16(11-9-14)22-20(26)15-5-4-12-25(13-15)21(27)19-17-6-2-3-7-18(17)23-24-19/h2-3,6-11,15H,4-5,12-13H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 1-(1H-indazole-3-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide?
1-(1H-indazole-3-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazole-3-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 121354980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).