1-[4-(piperazine-1-carbonyl)phenyl]ethanone

C13H16N2O2 — CID 82510195

IUPAC1-[4-(piperazine-1-carbonyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCNCC2)cc1
InChIInChI=1S/C13H16N2O2/c1-10(16)11-2-4-12(5-3-11)13(17)15-8-6-14-7-9-15/h2-5,14H,6-9H2,1H3
InChIKeyRPJAORKGZYBQQM-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.93
Rot. Bonds2

About 1-[4-(piperazine-1-carbonyl)phenyl]ethanone

1-[4-(piperazine-1-carbonyl)phenyl]ethanone (PubChem CID 82510195) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[4-(piperazine-1-carbonyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(piperazine-1-carbonyl)phenyl]ethanone
PubChem CID82510195
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-[4-(piperazine-1-carbonyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCNCC2)cc1
InChIInChI=1S/C13H16N2O2/c1-10(16)11-2-4-12(5-3-11)13(17)15-8-6-14-7-9-15/h2-5,14H,6-9H2,1H3
InChIKeyRPJAORKGZYBQQM-UHFFFAOYSA-N
XLogP0.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 119576231
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551
(4-methylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403609
ethane;1-(4-piperazin-1-ylphenyl)ethanone
CID 142085748
1-(4-piperazin-1-ylsulfonylphenyl)ethanone
CID 2125328
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
N-[4-(piperazine-1-carbonyl)phenyl]propanamide
CID 53215907
5-(piperazine-1-carbonyl)-1H-pyridin-2-one
CID 24707425
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
N-tert-butyl-N-[4-(piperazine-1-carbonyl)phenyl]carbamate
CID 57366155

Frequently Asked Questions

What is the IUPAC name of 1-[4-(piperazine-1-carbonyl)phenyl]ethanone?
The IUPAC name of 1-[4-(piperazine-1-carbonyl)phenyl]ethanone (CID 82510195) is 1-[4-(piperazine-1-carbonyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(piperazine-1-carbonyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(piperazine-1-carbonyl)phenyl]ethanone is CC(=O)c1ccc(C(=O)N2CCNCC2)cc1.
What is the InChIKey of 1-[4-(piperazine-1-carbonyl)phenyl]ethanone?
The InChIKey is RPJAORKGZYBQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(16)11-2-4-12(5-3-11)13(17)15-8-6-14-7-9-15/h2-5,14H,6-9H2,1H3.
What are the key properties of 1-[4-(piperazine-1-carbonyl)phenyl]ethanone?
1-[4-(piperazine-1-carbonyl)phenyl]ethanone has a molecular weight of 232.28 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(piperazine-1-carbonyl)phenyl]ethanone is sourced from PubChem (CID 82510195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).