1-benzyl-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide

C21H23N5O — CID 47804635

IUPAC1-benzyl-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)nc1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C21H23N5O/c27-21(24-19-9-10-20(22-14-19)26-13-5-11-23-26)18-8-4-12-25(16-18)15-17-6-2-1-3-7-17/h1-3,5-7,9-11,13-14,18H,4,8,12,15-16H2,(H,24,27)
InChIKeyIQBOJSMTMJRSBO-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.12
Rot. Bonds5

About 1-benzyl-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide

1-benzyl-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide (PubChem CID 47804635) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-benzyl-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
PubChem CID47804635
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1-benzyl-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)nc1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C21H23N5O/c27-21(24-19-9-10-20(22-14-19)26-13-5-11-23-26)18-8-4-12-25(16-18)15-17-6-2-1-3-7-17/h1-3,5-7,9-11,13-14,18H,4,8,12,15-16H2,(H,24,27)
InChIKeyIQBOJSMTMJRSBO-UHFFFAOYSA-N
XLogP3.12
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-3-carboxamide
CID 55986688
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
1-benzyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 43922210
1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43919796
(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 93490714
1-(cyclohexanecarbonyl)-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 55762135
4-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide
CID 60849056
1-benzyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 60548570
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 45195369
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide (CID 47804635) is 1-benzyl-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide is O=C(Nc1ccc(-n2cccn2)nc1)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide?
The InChIKey is IQBOJSMTMJRSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21(24-19-9-10-20(22-14-19)26-13-5-11-23-26)18-8-4-12-25(16-18)15-17-6-2-1-3-7-17/h1-3,5-7,9-11,13-14,18H,4,8,12,15-16H2,(H,24,27).
What are the key properties of 1-benzyl-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide?
1-benzyl-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 47804635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).