4-(4-methylbenzoyl)-1-propan-2-ylpiperazin-2-one

C15H20N2O2 — CID 110708969

IUPAC4-(4-methylbenzoyl)-1-propan-2-ylpiperazin-2-one
SMILESCc1ccc(C(=O)N2CCN(C(C)C)C(=O)C2)cc1
InChIInChI=1S/C15H20N2O2/c1-11(2)17-9-8-16(10-14(17)18)15(19)13-6-4-12(3)5-7-13/h4-7,11H,8-10H2,1-3H3
InChIKeyQBFKAEZXVOTSAV-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.69
Rot. Bonds2

About 4-(4-methylbenzoyl)-1-propan-2-ylpiperazin-2-one

4-(4-methylbenzoyl)-1-propan-2-ylpiperazin-2-one (PubChem CID 110708969) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(4-methylbenzoyl)-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-methylbenzoyl)-1-propan-2-ylpiperazin-2-one
PubChem CID110708969
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-(4-methylbenzoyl)-1-propan-2-ylpiperazin-2-one
SMILESCc1ccc(C(=O)N2CCN(C(C)C)C(=O)C2)cc1
InChIInChI=1S/C15H20N2O2/c1-11(2)17-9-8-16(10-14(17)18)15(19)13-6-4-12(3)5-7-13/h4-7,11H,8-10H2,1-3H3
InChIKeyQBFKAEZXVOTSAV-UHFFFAOYSA-N
XLogP1.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butylbenzoyl)-1-propan-2-ylpiperazin-2-one
CID 110708986
4-(4-methoxybenzoyl)-1-propan-2-ylpiperazin-2-one
CID 110708980
1-propan-2-yl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one
CID 110709011
1-propan-2-yl-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one
CID 110741317
4-(3-fluorobenzoyl)-1-propan-2-ylpiperazin-2-one
CID 110708971
4-[2-(4-methylphenoxy)acetyl]-1-propan-2-ylpiperazin-2-one
CID 110709007
4-(furan-2-carbonyl)-1-propan-2-ylpiperazin-2-one
CID 110708964
2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110365423
3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 110741309
1-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)piperazin-2-one
CID 70756809
3-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]butan-1-one
CID 110365425
(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone
CID 82285874

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylbenzoyl)-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-(4-methylbenzoyl)-1-propan-2-ylpiperazin-2-one (CID 110708969) is 4-(4-methylbenzoyl)-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(4-methylbenzoyl)-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-(4-methylbenzoyl)-1-propan-2-ylpiperazin-2-one is Cc1ccc(C(=O)N2CCN(C(C)C)C(=O)C2)cc1.
What is the InChIKey of 4-(4-methylbenzoyl)-1-propan-2-ylpiperazin-2-one?
The InChIKey is QBFKAEZXVOTSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(2)17-9-8-16(10-14(17)18)15(19)13-6-4-12(3)5-7-13/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 4-(4-methylbenzoyl)-1-propan-2-ylpiperazin-2-one?
4-(4-methylbenzoyl)-1-propan-2-ylpiperazin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylbenzoyl)-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 110708969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).