1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one

C15H20N2O2 — CID 82132828

IUPAC1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one
SMILESCC(=O)CN1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C15H20N2O2/c1-12-5-3-4-6-14(12)15(19)17-9-7-16(8-10-17)11-13(2)18/h3-6H,7-11H2,1-2H3
InChIKeyNEELYTPWDRGFBF-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.34
Rot. Bonds3

About 1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one

1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one (PubChem CID 82132828) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one
PubChem CID82132828
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one
SMILESCC(=O)CN1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C15H20N2O2/c1-12-5-3-4-6-14(12)15(19)17-9-7-16(8-10-17)11-13(2)18/h3-6H,7-11H2,1-2H3
InChIKeyNEELYTPWDRGFBF-UHFFFAOYSA-N
XLogP1.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-bromoethyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 80660248
[4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 82090858
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one
CID 110365357
(2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 755573
(2-methylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110709190
1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 110658903
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one
CID 110365362
ethyl 3-[4-(2-methylbenzoyl)piperazin-1-yl]-3-oxopropanoate
CID 58032917

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one?
The IUPAC name of 1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one (CID 82132828) is 1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one?
The canonical SMILES for 1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one is CC(=O)CN1CCN(C(=O)c2ccccc2C)CC1.
What is the InChIKey of 1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one?
The InChIKey is NEELYTPWDRGFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12-5-3-4-6-14(12)15(19)17-9-7-16(8-10-17)11-13(2)18/h3-6H,7-11H2,1-2H3.
What are the key properties of 1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one?
1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one is sourced from PubChem (CID 82132828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).