4-methyl-5-(3-methylpiperazine-1-carbonyl)-1H-pyridin-2-one

C12H17N3O2 — CID 119580359

IUPAC4-methyl-5-(3-methylpiperazine-1-carbonyl)-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1C(=O)N1CCNC(C)C1
InChIInChI=1S/C12H17N3O2/c1-8-5-11(16)14-6-10(8)12(17)15-4-3-13-9(2)7-15/h5-6,9,13H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyVKWSWCZWQRKOEC-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.12
Rot. Bonds1

About 4-methyl-5-(3-methylpiperazine-1-carbonyl)-1H-pyridin-2-one

4-methyl-5-(3-methylpiperazine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 119580359) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-methyl-5-(3-methylpiperazine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-5-(3-methylpiperazine-1-carbonyl)-1H-pyridin-2-one
PubChem CID119580359
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-methyl-5-(3-methylpiperazine-1-carbonyl)-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1C(=O)N1CCNC(C)C1
InChIInChI=1S/C12H17N3O2/c1-8-5-11(16)14-6-10(8)12(17)15-4-3-13-9(2)7-15/h5-6,9,13H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyVKWSWCZWQRKOEC-UHFFFAOYSA-N
XLogP0.12
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-[(3S)-3-methyl-4-(4-methyl-6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 127464891
(2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426420
(2,5-difluoro-4-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124695014
(2-bromo-5-fluoro-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 172914000
4-methyl-7-[(3R)-3-methylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 166298556
(2-iodophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426406
(5-chloro-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82883730
(5-fluoro-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579929
(2-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426616
(1,5-dimethylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 119578302
(4-chloro-3-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 113397126
(3,4-dimethylphenyl)-[2-(3-methylpiperazine-1-carbonyl)phenyl]methanone
CID 119580638

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3-methylpiperazine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 4-methyl-5-(3-methylpiperazine-1-carbonyl)-1H-pyridin-2-one (CID 119580359) is 4-methyl-5-(3-methylpiperazine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-5-(3-methylpiperazine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-5-(3-methylpiperazine-1-carbonyl)-1H-pyridin-2-one is Cc1cc(=O)[nH]cc1C(=O)N1CCNC(C)C1.
What is the InChIKey of 4-methyl-5-(3-methylpiperazine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is VKWSWCZWQRKOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-5-11(16)14-6-10(8)12(17)15-4-3-13-9(2)7-15/h5-6,9,13H,3-4,7H2,1-2H3,(H,14,16).
What are the key properties of 4-methyl-5-(3-methylpiperazine-1-carbonyl)-1H-pyridin-2-one?
4-methyl-5-(3-methylpiperazine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3-methylpiperazine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 119580359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).