3-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]butan-1-one

C17H24N2O2 — CID 110365425

IUPAC3-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]butan-1-one
SMILESCc1ccc(C(=O)N2CCN(C(=O)CC(C)C)CC2)cc1
InChIInChI=1S/C17H24N2O2/c1-13(2)12-16(20)18-8-10-19(11-9-18)17(21)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3
InChIKeyNEKMIZZOGXVWBQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.33
Rot. Bonds3

About 3-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]butan-1-one

3-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]butan-1-one (PubChem CID 110365425) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]butan-1-one
PubChem CID110365425
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]butan-1-one
SMILESCc1ccc(C(=O)N2CCN(C(=O)CC(C)C)CC2)cc1
InChIInChI=1S/C17H24N2O2/c1-13(2)12-16(20)18-8-10-19(11-9-18)17(21)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3
InChIKeyNEKMIZZOGXVWBQ-UHFFFAOYSA-N
XLogP2.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]butan-1-one
CID 110800909
3-methyl-1-[4-(4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 110806888
2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110365423
4-[4-(4-methylbenzoyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4739681
3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 2756480
3-methyl-1-[4-(3,4,5-trihydroxybenzoyl)piperazin-1-yl]butan-1-one
CID 108533814
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 39571083
(2S)-2-amino-4-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]pentan-1-one
CID 119708731
3-methyl-1-[4-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]butan-1-one
CID 24660929
N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide
CID 110365441
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone
CID 82285874

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]butan-1-one (CID 110365425) is 3-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]butan-1-one is Cc1ccc(C(=O)N2CCN(C(=O)CC(C)C)CC2)cc1.
What is the InChIKey of 3-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]butan-1-one?
The InChIKey is NEKMIZZOGXVWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)12-16(20)18-8-10-19(11-9-18)17(21)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3.
What are the key properties of 3-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]butan-1-one?
3-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]butan-1-one has a molecular weight of 288.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 110365425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).