2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide

C11H18N4O — CID 106739789

IUPAC2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
SMILESCC1CC(C(=O)NCc2ccn[nH]2)CCN1
InChIInChI=1S/C11H18N4O/c1-8-6-9(2-4-12-8)11(16)13-7-10-3-5-14-15-10/h3,5,8-9,12H,2,4,6-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyBQBUKBJTCMEKDE-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.41
Rot. Bonds3

About 2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide

2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide (PubChem CID 106739789) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
PubChem CID106739789
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
SMILESCC1CC(C(=O)NCc2ccn[nH]2)CCN1
InChIInChI=1S/C11H18N4O/c1-8-6-9(2-4-12-8)11(16)13-7-10-3-5-14-15-10/h3,5,8-9,12H,2,4,6-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyBQBUKBJTCMEKDE-UHFFFAOYSA-N
XLogP0.41
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 94916818
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 106739536
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 60976301
2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61283327
N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106738652
5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 78983105
6-oxo-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 112731393
N-[(2-methoxy-4-pyridinyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739998
(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120617128
1-methyl-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 61218006

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide (CID 106739789) is 2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide is CC1CC(C(=O)NCc2ccn[nH]2)CCN1.
What is the InChIKey of 2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide?
The InChIKey is BQBUKBJTCMEKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-6-9(2-4-12-8)11(16)13-7-10-3-5-14-15-10/h3,5,8-9,12H,2,4,6-7H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide?
2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 106739789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).