N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide

C17H22N4O — CID 71781180

IUPACN-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C17H22N4O/c22-17(18-13-15-5-2-1-3-6-15)20-11-7-16(8-12-20)14-21-10-4-9-19-21/h1-6,9-10,16H,7-8,11-14H2,(H,18,22)
InChIKeyRVYHEMCNQSPQHD-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.50
Rot. Bonds4

About N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide

N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 71781180) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
PubChem CID71781180
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C17H22N4O/c22-17(18-13-15-5-2-1-3-6-15)20-11-7-16(8-12-20)14-21-10-4-9-19-21/h1-6,9-10,16H,7-8,11-14H2,(H,18,22)
InChIKeyRVYHEMCNQSPQHD-UHFFFAOYSA-N
XLogP2.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495373
2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608761
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71192982
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 124569727
N-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide
CID 107654135
4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122021186
N-benzyl-4-[[5-(chloromethyl)imidazol-1-yl]methyl]piperidine-1-carboxamide
CID 142636153
N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495360
N-benzyl-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide
CID 53150970
N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494541

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide (CID 71781180) is N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is RVYHEMCNQSPQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17(18-13-15-5-2-1-3-6-15)20-11-7-16(8-12-20)14-21-10-4-9-19-21/h1-6,9-10,16H,7-8,11-14H2,(H,18,22).
What are the key properties of N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71781180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).