N-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide

C17H20N4O2 — CID 43064091

IUPACN-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C17H20N4O2/c1-18-16(22)13-7-11-20(12-8-13)17(23)14-3-5-15(6-4-14)21-10-2-9-19-21/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,18,22)
InChIKeyZAPJEBGUUUAIOJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.47
Rot. Bonds3

About N-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide

N-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide (PubChem CID 43064091) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide
PubChem CID43064091
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C17H20N4O2/c1-18-16(22)13-7-11-20(12-8-13)17(23)14-3-5-15(6-4-14)21-10-2-9-19-21/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,18,22)
InChIKeyZAPJEBGUUUAIOJ-UHFFFAOYSA-N
XLogP1.47
TPSA67.23 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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63005917
(4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 114680189
piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 119401221
(3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 55176659
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 9462299
1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide
CID 20973013
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 120820264
5-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 123513226
[4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 32532341
1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide
CID 110350748
3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 61440069
[2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 43421347

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide (CID 43064091) is N-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1.
What is the InChIKey of N-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide?
The InChIKey is ZAPJEBGUUUAIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-18-16(22)13-7-11-20(12-8-13)17(23)14-3-5-15(6-4-14)21-10-2-9-19-21/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,18,22).
What are the key properties of N-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide?
N-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 43064091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).