2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide

C12H18N4O2 — CID 95043723

IUPAC2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC(=O)N1CCCCC1
InChIInChI=1S/C12H18N4O2/c1-15-10(5-6-14-15)12(18)13-9-11(17)16-7-3-2-4-8-16/h5-6H,2-4,7-9H2,1H3,(H,13,18)
InChIKeyXCGJKCSBKTYPPC-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.16
Rot. Bonds3

About 2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide

2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide (PubChem CID 95043723) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
PubChem CID95043723
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC(=O)N1CCCCC1
InChIInChI=1S/C12H18N4O2/c1-15-10(5-6-14-15)12(18)13-9-11(17)16-7-3-2-4-8-16/h5-6H,2-4,7-9H2,1H3,(H,13,18)
InChIKeyXCGJKCSBKTYPPC-UHFFFAOYSA-N
XLogP0.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 97465236
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 91945694
N-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 138723430
2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-sulfonamide
CID 136531661
N-[2-oxo-2-[4-[2-(pyridine-4-carbonylamino)acetyl]-1,4-diazepan-1-yl]ethyl]pyridine-4-carboxamide
CID 166219117
2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
(2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 107833827
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 91945696
2-methyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide
CID 81478587
4-(methylsulfanylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 86988977
(2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120694502
3,5-dimethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 2095565

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide (CID 95043723) is 2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide is Cn1nccc1C(=O)NCC(=O)N1CCCCC1.
What is the InChIKey of 2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide?
The InChIKey is XCGJKCSBKTYPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15-10(5-6-14-15)12(18)13-9-11(17)16-7-3-2-4-8-16/h5-6H,2-4,7-9H2,1H3,(H,13,18).
What are the key properties of 2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide?
2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 95043723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).