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

C16H22N2O2 — CID 110365423

IUPAC2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
SMILESCc1ccc(C(=O)N2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C16H22N2O2/c1-12(2)15(19)17-8-10-18(11-9-17)16(20)14-6-4-13(3)5-7-14/h4-7,12H,8-11H2,1-3H3
InChIKeyIDJSDBWQTNWXCJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.94
Rot. Bonds2

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

2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 110365423) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
PubChem CID110365423
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
SMILESCc1ccc(C(=O)N2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C16H22N2O2/c1-12(2)15(19)17-8-10-18(11-9-17)16(20)14-6-4-13(3)5-7-14/h4-7,12H,8-11H2,1-3H3
InChIKeyIDJSDBWQTNWXCJ-UHFFFAOYSA-N
XLogP1.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800200
2-methyl-1-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]propan-1-one
CID 110800282
(2S)-2-amino-4-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]pentan-1-one
CID 119708731
2-methyl-1-[4-(4-nitrobenzoyl)piperazin-1-yl]propan-1-one
CID 51165773
3-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]butan-1-one
CID 110365425
(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone
CID 82285874
4-methyl-N-[3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide
CID 18159891
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide
CID 110365441
N-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55551043
1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzimidazol-2-one
CID 110800287
1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 18112386

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one (CID 110365423) is 2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one is Cc1ccc(C(=O)N2CCN(C(=O)C(C)C)CC2)cc1.
What is the InChIKey of 2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is IDJSDBWQTNWXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(2)15(19)17-8-10-18(11-9-17)16(20)14-6-4-13(3)5-7-14/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one?
2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 274.36 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110365423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).