5-[4-(2-methylbenzoyl)piperazin-1-yl]-1H-pyridin-2-one

C17H19N3O2 — CID 110735922

IUPAC5-[4-(2-methylbenzoyl)piperazin-1-yl]-1H-pyridin-2-one
SMILESCc1ccccc1C(=O)N1CCN(c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C17H19N3O2/c1-13-4-2-3-5-15(13)17(22)20-10-8-19(9-11-20)14-6-7-16(21)18-12-14/h2-7,12H,8-11H2,1H3,(H,18,21)
InChIKeyIJWXOUGFAAAXPX-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.65
Rot. Bonds2

About 5-[4-(2-methylbenzoyl)piperazin-1-yl]-1H-pyridin-2-one

5-[4-(2-methylbenzoyl)piperazin-1-yl]-1H-pyridin-2-one (PubChem CID 110735922) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-[4-(2-methylbenzoyl)piperazin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(2-methylbenzoyl)piperazin-1-yl]-1H-pyridin-2-one
PubChem CID110735922
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name5-[4-(2-methylbenzoyl)piperazin-1-yl]-1H-pyridin-2-one
SMILESCc1ccccc1C(=O)N1CCN(c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C17H19N3O2/c1-13-4-2-3-5-15(13)17(22)20-10-8-19(9-11-20)14-6-7-16(21)18-12-14/h2-7,12H,8-11H2,1H3,(H,18,21)
InChIKeyIJWXOUGFAAAXPX-UHFFFAOYSA-N
XLogP1.65
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-benzoylpiperazin-1-yl)-1H-pyridin-2-one
CID 110735921
[4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 78777425
(2-methylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3113445
2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 4500933
3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110745900
5-(4-phenylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 4826168
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
ethyl 4-[4-(2-methylbenzoyl)piperazin-1-yl]benzoate
CID 113079812
5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-pyridin-2-one
CID 110735948
(2S)-2-chloro-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
CID 1056129
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056092
[4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 113079338

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylbenzoyl)piperazin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(2-methylbenzoyl)piperazin-1-yl]-1H-pyridin-2-one (CID 110735922) is 5-[4-(2-methylbenzoyl)piperazin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(2-methylbenzoyl)piperazin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(2-methylbenzoyl)piperazin-1-yl]-1H-pyridin-2-one is Cc1ccccc1C(=O)N1CCN(c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-[4-(2-methylbenzoyl)piperazin-1-yl]-1H-pyridin-2-one?
The InChIKey is IJWXOUGFAAAXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-4-2-3-5-15(13)17(22)20-10-8-19(9-11-20)14-6-7-16(21)18-12-14/h2-7,12H,8-11H2,1H3,(H,18,21).
What are the key properties of 5-[4-(2-methylbenzoyl)piperazin-1-yl]-1H-pyridin-2-one?
5-[4-(2-methylbenzoyl)piperazin-1-yl]-1H-pyridin-2-one has a molecular weight of 297.36 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylbenzoyl)piperazin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 110735922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).