3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide

C13H22N4O — CID 115583842

IUPAC3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC(C)Cn2cccn2)C1
InChIInChI=1S/C13H22N4O/c1-11-5-3-7-16(9-11)13(18)15-12(2)10-17-8-4-6-14-17/h4,6,8,11-12H,3,5,7,9-10H2,1-2H3,(H,15,18)
InChIKeyBLSDCKSIHCFKBB-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.71
Rot. Bonds3

About 3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide

3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide (PubChem CID 115583842) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide
PubChem CID115583842
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC(C)Cn2cccn2)C1
InChIInChI=1S/C13H22N4O/c1-11-5-3-7-16(9-11)13(18)15-12(2)10-17-8-4-6-14-17/h4,6,8,11-12H,3,5,7,9-10H2,1-2H3,(H,15,18)
InChIKeyBLSDCKSIHCFKBB-UHFFFAOYSA-N
XLogP1.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-pyrazol-1-ylpropan-2-yl]azetidine-1-carboxamide
CID 94031085
1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61460902
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
N-hexan-2-yl-3-methylpiperidine-1-carboxamide
CID 116655502
4-methylsulfonyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 94102189
3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
CID 115760637
(2R)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94031024
(2R)-2-(4-fluorophenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide
CID 94031044
(3R)-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide
CID 94031066
N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 116657977
3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784341
(3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 95266842

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide (CID 115583842) is 3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide is CC1CCCN(C(=O)NC(C)Cn2cccn2)C1.
What is the InChIKey of 3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide?
The InChIKey is BLSDCKSIHCFKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11-5-3-7-16(9-11)13(18)15-12(2)10-17-8-4-6-14-17/h4,6,8,11-12H,3,5,7,9-10H2,1-2H3,(H,15,18).
What are the key properties of 3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide?
3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 115583842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).