N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide

C22H27N3O2 — CID 113118231

IUPACN-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(c2ccccc2)CC1)Cc1ccccc1
InChIInChI=1S/C22H27N3O2/c1-19(26)25(18-20-8-4-2-5-9-20)13-12-22(27)24-16-14-23(15-17-24)21-10-6-3-7-11-21/h2-11H,12-18H2,1H3
InChIKeyCPOZAESHNLBEQC-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.77
Rot. Bonds6

About N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide

N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide (PubChem CID 113118231) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
PubChem CID113118231
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(c2ccccc2)CC1)Cc1ccccc1
InChIInChI=1S/C22H27N3O2/c1-19(26)25(18-20-8-4-2-5-9-20)13-12-22(27)24-16-14-23(15-17-24)21-10-6-3-7-11-21/h2-11H,12-18H2,1H3
InChIKeyCPOZAESHNLBEQC-UHFFFAOYSA-N
XLogP2.77
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide 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

N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
CID 119400405
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-prop-2-enylacetamide
CID 113115563
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118190
N-benzyl-N-[3-(1,4-diazepan-1-yl)-3-oxopropyl]acetamide
CID 119414492
N-[2-(2-fluorophenyl)ethyl]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113120951
N-benzyl-N-[3-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-3-oxopropyl]acetamide
CID 86880739
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
3-[benzyl(methyl)amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109020605
N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113117299
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-(4-propan-2-ylphenyl)acetamide
CID 113125862
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
3-[benzyl(propan-2-yl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027223

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide (CID 113118231) is N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide is CC(=O)N(CCC(=O)N1CCN(c2ccccc2)CC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide?
The InChIKey is CPOZAESHNLBEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-19(26)25(18-20-8-4-2-5-9-20)13-12-22(27)24-16-14-23(15-17-24)21-10-6-3-7-11-21/h2-11H,12-18H2,1H3.
What are the key properties of N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide?
N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 113118231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).