N-benzyl-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide

C17H22N4O — CID 121021056

IUPACN-benzyl-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCn1ccc(C2CCCN(C(=O)NCc3ccccc3)C2)n1
InChIInChI=1S/C17H22N4O/c1-20-11-9-16(19-20)15-8-5-10-21(13-15)17(22)18-12-14-6-3-2-4-7-14/h2-4,6-7,9,11,15H,5,8,10,12-13H2,1H3,(H,18,22)
InChIKeyFDOPXBUAFJKYMA-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.51
Rot. Bonds3

About N-benzyl-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide

N-benzyl-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide (PubChem CID 121021056) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-benzyl-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
PubChem CID121021056
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-benzyl-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCn1ccc(C2CCCN(C(=O)NCc3ccccc3)C2)n1
InChIInChI=1S/C17H22N4O/c1-20-11-9-16(19-20)15-8-5-10-21(13-15)17(22)18-12-14-6-3-2-4-7-14/h2-4,6-7,9,11,15H,5,8,10,12-13H2,1H3,(H,18,22)
InChIKeyFDOPXBUAFJKYMA-UHFFFAOYSA-N
XLogP2.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 126440405
1-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-3-phenylsulfanylpropan-1-one
CID 119103876
N-benzyl-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166186970
[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 119103853
(3S)-N-benzyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 97206856
N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 138025521
1-benzothiophen-2-yl-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 119103885
N-benzylazonane-1-carboxamide
CID 130689649
3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide
CID 42934572
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide
CID 128968811
(3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 52505386

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-benzyl-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide (CID 121021056) is N-benzyl-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide is Cn1ccc(C2CCCN(C(=O)NCc3ccccc3)C2)n1.
What is the InChIKey of N-benzyl-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
The InChIKey is FDOPXBUAFJKYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-20-11-9-16(19-20)15-8-5-10-21(13-15)17(22)18-12-14-6-3-2-4-7-14/h2-4,6-7,9,11,15H,5,8,10,12-13H2,1H3,(H,18,22).
What are the key properties of N-benzyl-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
N-benzyl-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 121021056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).