1-(2-acetyl-3-piperazin-1-ylphenyl)ethanone

C14H18N2O2 — CID 176967580

IUPAC1-(2-acetyl-3-piperazin-1-ylphenyl)ethanone
SMILESCC(=O)c1cccc(N2CCNCC2)c1C(C)=O
InChIInChI=1S/C14H18N2O2/c1-10(17)12-4-3-5-13(14(12)11(2)18)16-8-6-15-7-9-16/h3-5,15H,6-9H2,1-2H3
InChIKeyQHTNNEDUBQLNFR-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.50
Rot. Bonds3

About 1-(2-acetyl-3-piperazin-1-ylphenyl)ethanone

1-(2-acetyl-3-piperazin-1-ylphenyl)ethanone (PubChem CID 176967580) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(2-acetyl-3-piperazin-1-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-acetyl-3-piperazin-1-ylphenyl)ethanone
PubChem CID176967580
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(2-acetyl-3-piperazin-1-ylphenyl)ethanone
SMILESCC(=O)c1cccc(N2CCNCC2)c1C(C)=O
InChIInChI=1S/C14H18N2O2/c1-10(17)12-4-3-5-13(14(12)11(2)18)16-8-6-15-7-9-16/h3-5,15H,6-9H2,1-2H3
InChIKeyQHTNNEDUBQLNFR-UHFFFAOYSA-N
XLogP1.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-nitro-6-piperazin-1-ylphenyl)ethanone
CID 126662095
2-carbamoyl-3-piperazin-1-ylbenzoic acid
CID 172739762
2-(methylcarbamoyl)-3-piperazin-1-ylbenzoic acid
CID 175568528
2-piperazin-1-ylbenzoyl bromide
CID 141087423
1-(2-piperazin-1-ylphenyl)propan-1-one
CID 139690573
N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride
CID 140869989
(2-methyl-3-piperazin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 28749270
methyl 2-amino-3-piperazin-1-ylbenzoate
CID 176889700
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
methyl 2-nitro-3-piperazin-1-ylbenzoate
CID 176889711
1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone
CID 21404567
(2-piperazin-1-ylphenyl)-(1,2,4-triazol-1-yl)methanone
CID 58996690

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-3-piperazin-1-ylphenyl)ethanone?
The IUPAC name of 1-(2-acetyl-3-piperazin-1-ylphenyl)ethanone (CID 176967580) is 1-(2-acetyl-3-piperazin-1-ylphenyl)ethanone.
What is the SMILES notation for 1-(2-acetyl-3-piperazin-1-ylphenyl)ethanone?
The canonical SMILES for 1-(2-acetyl-3-piperazin-1-ylphenyl)ethanone is CC(=O)c1cccc(N2CCNCC2)c1C(C)=O.
What is the InChIKey of 1-(2-acetyl-3-piperazin-1-ylphenyl)ethanone?
The InChIKey is QHTNNEDUBQLNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(17)12-4-3-5-13(14(12)11(2)18)16-8-6-15-7-9-16/h3-5,15H,6-9H2,1-2H3.
What are the key properties of 1-(2-acetyl-3-piperazin-1-ylphenyl)ethanone?
1-(2-acetyl-3-piperazin-1-ylphenyl)ethanone has a molecular weight of 246.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-3-piperazin-1-ylphenyl)ethanone is sourced from PubChem (CID 176967580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).