5-(4-benzoylpiperazin-1-yl)-1H-pyridin-2-one

C16H17N3O2 — CID 110735921

IUPAC5-(4-benzoylpiperazin-1-yl)-1H-pyridin-2-one
SMILESO=C(c1ccccc1)N1CCN(c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C16H17N3O2/c20-15-7-6-14(12-17-15)18-8-10-19(11-9-18)16(21)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,17,20)
InChIKeyCVPHCFSDDRSQDW-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.34
Rot. Bonds2

About 5-(4-benzoylpiperazin-1-yl)-1H-pyridin-2-one

5-(4-benzoylpiperazin-1-yl)-1H-pyridin-2-one (PubChem CID 110735921) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-(4-benzoylpiperazin-1-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4-benzoylpiperazin-1-yl)-1H-pyridin-2-one
PubChem CID110735921
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-(4-benzoylpiperazin-1-yl)-1H-pyridin-2-one
SMILESO=C(c1ccccc1)N1CCN(c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C16H17N3O2/c20-15-7-6-14(12-17-15)18-8-10-19(11-9-18)16(21)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,17,20)
InChIKeyCVPHCFSDDRSQDW-UHFFFAOYSA-N
XLogP1.34
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-phenylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 4826168
5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-pyridin-2-one
CID 110735948
5-[4-(2-methylbenzoyl)piperazin-1-yl]-1H-pyridin-2-one
CID 110735922
3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110745900
[4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone
CID 113081342
5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1H-pyridin-2-one
CID 110735913
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone
CID 146590919
[4-(4-methylsulfonylphenyl)piperazin-1-yl]-phenylmethanone
CID 4604357
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone
CID 43461867
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 8779428

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzoylpiperazin-1-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(4-benzoylpiperazin-1-yl)-1H-pyridin-2-one (CID 110735921) is 5-(4-benzoylpiperazin-1-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(4-benzoylpiperazin-1-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(4-benzoylpiperazin-1-yl)-1H-pyridin-2-one is O=C(c1ccccc1)N1CCN(c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-(4-benzoylpiperazin-1-yl)-1H-pyridin-2-one?
The InChIKey is CVPHCFSDDRSQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-15-7-6-14(12-17-15)18-8-10-19(11-9-18)16(21)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,17,20).
What are the key properties of 5-(4-benzoylpiperazin-1-yl)-1H-pyridin-2-one?
5-(4-benzoylpiperazin-1-yl)-1H-pyridin-2-one has a molecular weight of 283.33 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzoylpiperazin-1-yl)-1H-pyridin-2-one is sourced from PubChem (CID 110735921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).