5-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one

C18H21N3O2 — CID 110735976

IUPAC5-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one
SMILESCc1cccc(CC(=O)N2CCN(c3ccc(=O)[nH]c3)CC2)c1
InChIInChI=1S/C18H21N3O2/c1-14-3-2-4-15(11-14)12-18(23)21-9-7-20(8-10-21)16-5-6-17(22)19-13-16/h2-6,11,13H,7-10,12H2,1H3,(H,19,22)
InChIKeyUXDPBGHJFDZJLP-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.57
Rot. Bonds3

About 5-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one

5-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one (PubChem CID 110735976) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one
PubChem CID110735976
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name5-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one
SMILESCc1cccc(CC(=O)N2CCN(c3ccc(=O)[nH]c3)CC2)c1
InChIInChI=1S/C18H21N3O2/c1-14-3-2-4-15(11-14)12-18(23)21-9-7-20(8-10-21)16-5-6-17(22)19-13-16/h2-6,11,13H,7-10,12H2,1H3,(H,19,22)
InChIKeyUXDPBGHJFDZJLP-UHFFFAOYSA-N
XLogP1.57
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one
CID 110735981
1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 113081387
2-(3-methylphenyl)-1-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]ethanone
CID 113079066
2,2-dimethyl-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817960
3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]benzonitrile
CID 113080956
2-(4-fluorophenyl)-N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 1057942
2-methoxy-N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 1057943
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822792
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818154
2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 6469987
1-(3-fluorophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea
CID 1058047
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one (CID 110735976) is 5-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one is Cc1cccc(CC(=O)N2CCN(c3ccc(=O)[nH]c3)CC2)c1.
What is the InChIKey of 5-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one?
The InChIKey is UXDPBGHJFDZJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14-3-2-4-15(11-14)12-18(23)21-9-7-20(8-10-21)16-5-6-17(22)19-13-16/h2-6,11,13H,7-10,12H2,1H3,(H,19,22).
What are the key properties of 5-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one?
5-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one has a molecular weight of 311.39 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 110735976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).