4-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-1H-pyridin-2-one

C14H21N3O2 — CID 176811294

IUPAC4-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-1H-pyridin-2-one
SMILESCc1cc[nH]c(=O)c1N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C14H21N3O2/c1-10(2)14(19)17-8-6-16(7-9-17)12-11(3)4-5-15-13(12)18/h4-5,10H,6-9H2,1-3H3,(H,15,18)
InChIKeyZYLOGPWGHKPGTQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.99
Rot. Bonds2

About 4-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-1H-pyridin-2-one

4-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-1H-pyridin-2-one (PubChem CID 176811294) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-1H-pyridin-2-one
PubChem CID176811294
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-1H-pyridin-2-one
SMILESCc1cc[nH]c(=O)c1N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C14H21N3O2/c1-10(2)14(19)17-8-6-16(7-9-17)12-11(3)4-5-15-13(12)18/h4-5,10H,6-9H2,1-3H3,(H,15,18)
InChIKeyZYLOGPWGHKPGTQ-UHFFFAOYSA-N
XLogP0.99
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
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CID 113076267
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
ethane;2-methyl-1-[4-(1H-pyrrolo[2,3-c]pyridin-7-yl)piperazin-1-yl]propan-1-one
CID 176933753
1-[4-(4-aminophenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 936774
1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 7577711
2-methyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one
CID 7539254
1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 7539819
(2R)-2-amino-2-cyclohexyl-1-[4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]ethanone
CID 143833323
2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110365423
2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one
CID 113079086
2-methyl-1-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]propan-1-one
CID 110800217

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 4-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-1H-pyridin-2-one (CID 176811294) is 4-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-1H-pyridin-2-one is Cc1cc[nH]c(=O)c1N1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 4-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-1H-pyridin-2-one?
The InChIKey is ZYLOGPWGHKPGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)14(19)17-8-6-16(7-9-17)12-11(3)4-5-15-13(12)18/h4-5,10H,6-9H2,1-3H3,(H,15,18).
What are the key properties of 4-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-1H-pyridin-2-one?
4-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-1H-pyridin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-(2-methylpropanoyl)piperazin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 176811294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).