3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-one

C11H15N3O2 — CID 114499805

IUPAC3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-one
SMILESCC1CN(C(=O)c2ccnn2C)CCC1=O
InChIInChI=1S/C11H15N3O2/c1-8-7-14(6-4-10(8)15)11(16)9-3-5-12-13(9)2/h3,5,8H,4,6-7H2,1-2H3
InChIKeyPWUUTJFCLWTURV-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.47
Rot. Bonds1

About 3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-one

3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-one (PubChem CID 114499805) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-one
PubChem CID114499805
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-one
SMILESCC1CN(C(=O)c2ccnn2C)CCC1=O
InChIInChI=1S/C11H15N3O2/c1-8-7-14(6-4-10(8)15)11(16)9-3-5-12-13(9)2/h3,5,8H,4,6-7H2,1-2H3
InChIKeyPWUUTJFCLWTURV-UHFFFAOYSA-N
XLogP0.47
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 81428793
1-(2-methylpyrazole-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918339
(4-bromo-3-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 114683538
1-(2-methylpyrazole-3-carbonyl)-1,4-diazepan-5-one
CID 62317121
(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917576
1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110467110
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 61297196
(3-amino-5-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 79993620
3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one
CID 114499676
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride
CID 119379296
3-methyl-1-(3-methylpyridine-2-carbonyl)piperidin-4-one
CID 114499935
N'-hydroxy-4-(2-methylpyrazole-3-carbonyl)morpholine-2-carboximidamide
CID 79680892

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-one?
The IUPAC name of 3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-one (CID 114499805) is 3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-one.
What is the SMILES notation for 3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-one?
The canonical SMILES for 3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-one is CC1CN(C(=O)c2ccnn2C)CCC1=O.
What is the InChIKey of 3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-one?
The InChIKey is PWUUTJFCLWTURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-7-14(6-4-10(8)15)11(16)9-3-5-12-13(9)2/h3,5,8H,4,6-7H2,1-2H3.
What are the key properties of 3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-one?
3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-one has a molecular weight of 221.26 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-one is sourced from PubChem (CID 114499805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).