1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide

C17H22N4O — CID 47072465

IUPAC1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccn[nH]1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H22N4O/c22-17(18-11-16-8-9-19-20-16)15-7-4-10-21(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,15H,4,7,10-13H2,(H,18,22)(H,19,20)
InChIKeyAUGVXSNOTPNWKN-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.94
Rot. Bonds5

About 1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide

1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide (PubChem CID 47072465) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
PubChem CID47072465
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccn[nH]1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H22N4O/c22-17(18-11-16-8-9-19-20-16)15-7-4-10-21(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,15H,4,7,10-13H2,(H,18,22)(H,19,20)
InChIKeyAUGVXSNOTPNWKN-UHFFFAOYSA-N
XLogP1.94
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
4-[[[(3R)-1-benzylpiperidine-3-carbonyl]amino]methyl]benzoic acid
CID 124703905
1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917296
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
(3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide
CID 93490114
1-benzyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 51092911
(3S)-1-benzyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]piperidine-3-carboxamide
CID 100777293
1-[(4-fluorophenyl)methyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133204271
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 43921898

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide (CID 47072465) is 1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccn[nH]1)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide?
The InChIKey is AUGVXSNOTPNWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17(18-11-16-8-9-19-20-16)15-7-4-10-21(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,15H,4,7,10-13H2,(H,18,22)(H,19,20).
What are the key properties of 1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide?
1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 47072465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).