1-(2-benzyl-4-methylpiperazin-1-yl)ethanone

C14H20N2O — CID 59474156

IUPAC1-(2-benzyl-4-methylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C)CC1Cc1ccccc1
InChIInChI=1S/C14H20N2O/c1-12(17)16-9-8-15(2)11-14(16)10-13-6-4-3-5-7-13/h3-7,14H,8-11H2,1-2H3
InChIKeyUESXDJWPFOVOSR-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.39
Rot. Bonds2

About 1-(2-benzyl-4-methylpiperazin-1-yl)ethanone

1-(2-benzyl-4-methylpiperazin-1-yl)ethanone (PubChem CID 59474156) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(2-benzyl-4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-benzyl-4-methylpiperazin-1-yl)ethanone
PubChem CID59474156
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(2-benzyl-4-methylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C)CC1Cc1ccccc1
InChIInChI=1S/C14H20N2O/c1-12(17)16-9-8-15(2)11-14(16)10-13-6-4-3-5-7-13/h3-7,14H,8-11H2,1-2H3
InChIKeyUESXDJWPFOVOSR-UHFFFAOYSA-N
XLogP1.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-benzyl-4-methylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-1,4,7-trimethyl-1,4,7-triazonane
CID 19975076
2-[(3-aminophenyl)methyl]-4-methylpiperazine-1-carboxylic acid
CID 154265851
1-(4-acetyl-2-benzylpiperazin-1-yl)propan-1-one
CID 110477513
4-[(3S)-4-acetyl-3-benzylpiperazine-1-carbonyl]benzenesulfonamide
CID 134158397
1-[2-benzyl-4-[(3Z)-1,1,4-triamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]piperazin-1-yl]ethanone
CID 145145627
3-(2-benzyl-4-methylpiperazine-1-carbonyl)-2H-2,7-naphthyridin-1-one
CID 166278482
2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one
CID 103814570
(2R)-2-benzyl-1-methylaziridine
CID 87174257
2-(1-acetyl-4-methylpiperazin-2-yl)acetonitrile
CID 167064980
2-benzyl-4-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 166364292
(2R)-2-amino-1-[(2S)-2-benzyl-4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 10708715
1-(1,4-dimethylpiperazin-2-yl)-4-phenylbutan-2-one
CID 115414666

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2-benzyl-4-methylpiperazin-1-yl)ethanone (CID 59474156) is 1-(2-benzyl-4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2-benzyl-4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2-benzyl-4-methylpiperazin-1-yl)ethanone is CC(=O)N1CCN(C)CC1Cc1ccccc1.
What is the InChIKey of 1-(2-benzyl-4-methylpiperazin-1-yl)ethanone?
The InChIKey is UESXDJWPFOVOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12(17)16-9-8-15(2)11-14(16)10-13-6-4-3-5-7-13/h3-7,14H,8-11H2,1-2H3.
What are the key properties of 1-(2-benzyl-4-methylpiperazin-1-yl)ethanone?
1-(2-benzyl-4-methylpiperazin-1-yl)ethanone has a molecular weight of 232.33 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 59474156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).