1-[4-(3-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxamide

C17H20N4O2 — CID 71895515

IUPAC1-[4-(3-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxamide
SMILESCc1ccn(-c2ccc(C(=O)N3CCCC(C(N)=O)C3)cc2)n1
InChIInChI=1S/C17H20N4O2/c1-12-8-10-21(19-12)15-6-4-13(5-7-15)17(23)20-9-2-3-14(11-20)16(18)22/h4-8,10,14H,2-3,9,11H2,1H3,(H2,18,22)
InChIKeyZAICVEGMVDKVNQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.52
Rot. Bonds3

About 1-[4-(3-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxamide

1-[4-(3-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxamide (PubChem CID 71895515) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[4-(3-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(3-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxamide
PubChem CID71895515
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-[4-(3-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxamide
SMILESCc1ccn(-c2ccc(C(=O)N3CCCC(C(N)=O)C3)cc2)n1
InChIInChI=1S/C17H20N4O2/c1-12-8-10-21(19-12)15-6-4-13(5-7-15)17(23)20-9-2-3-14(11-20)16(18)22/h4-8,10,14H,2-3,9,11H2,1H3,(H2,18,22)
InChIKeyZAICVEGMVDKVNQ-UHFFFAOYSA-N
XLogP1.52
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
[4-(3-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95333942
(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113545
(3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide
CID 94457790
ethyl 1-[4-(1,2,4-triazol-1-yl)benzoyl]piperidine-3-carboxylate
CID 46524573
(3S,4S)-4-methyl-1-[4-(3-methylpyrazol-1-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 120953061
1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide
CID 69161890
1-(4-phenoxybenzoyl)piperidine-3-carboxamide
CID 18159127
(3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide
CID 126446549
1-N-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]piperidine-1,3-dicarboxamide
CID 154456800
(3R)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 28826297
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-(3-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxamide (CID 71895515) is 1-[4-(3-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(3-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-(3-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxamide is Cc1ccn(-c2ccc(C(=O)N3CCCC(C(N)=O)C3)cc2)n1.
What is the InChIKey of 1-[4-(3-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxamide?
The InChIKey is ZAICVEGMVDKVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-8-10-21(19-12)15-6-4-13(5-7-15)17(23)20-9-2-3-14(11-20)16(18)22/h4-8,10,14H,2-3,9,11H2,1H3,(H2,18,22).
What are the key properties of 1-[4-(3-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxamide?
1-[4-(3-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 71895515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).