N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide

C16H20N4O — CID 60946173

IUPACN-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)C1CCCNC1
InChIInChI=1S/C16H20N4O/c21-16(14-7-4-8-17-9-14)19-15-10-18-20(12-15)11-13-5-2-1-3-6-13/h1-3,5-6,10,12,14,17H,4,7-9,11H2,(H,19,21)
InChIKeyJOVOFFPKVNOIBA-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.87
Rot. Bonds4

About N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide

N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide (PubChem CID 60946173) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide
PubChem CID60946173
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)C1CCCNC1
InChIInChI=1S/C16H20N4O/c21-16(14-7-4-8-17-9-14)19-15-10-18-20(12-15)11-13-5-2-1-3-6-13/h1-3,5-6,10,12,14,17H,4,7-9,11H2,(H,19,21)
InChIKeyJOVOFFPKVNOIBA-UHFFFAOYSA-N
XLogP1.87
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006125
N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride
CID 119871178
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
CID 126786611
(3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide
CID 81124070
N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014209
(2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119740026
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidine-3-carboxamide
CID 60945562
N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide
CID 95744788
(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 81119070
N-(1-benzylpyrazol-4-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 55983153
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
CID 119309115
N-(1-benzylimidazol-2-yl)piperidine-3-carboxamide
CID 119297675

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide (CID 60946173) is N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)C1CCCNC1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide?
The InChIKey is JOVOFFPKVNOIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(14-7-4-8-17-9-14)19-15-10-18-20(12-15)11-13-5-2-1-3-6-13/h1-3,5-6,10,12,14,17H,4,7-9,11H2,(H,19,21).
What are the key properties of N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide?
N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 60946173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).