N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide

C22H27N3O2 — CID 78774048

IUPACN-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
SMILESCCN1CCN(C(=O)CC(NC(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-2-24-13-15-25(16-14-24)21(26)17-20(18-9-5-3-6-10-18)23-22(27)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3,(H,23,27)
InChIKeyPVFOTJYCMFXZDC-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.71
Rot. Bonds6

About N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide

N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 78774048) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
PubChem CID78774048
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
SMILESCCN1CCN(C(=O)CC(NC(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-2-24-13-15-25(16-14-24)21(26)17-20(18-9-5-3-6-10-18)23-22(27)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3,(H,23,27)
InChIKeyPVFOTJYCMFXZDC-UHFFFAOYSA-N
XLogP2.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide 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-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide
CID 119401596
N-[(1R)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 31397372
N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 119374484
N-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide
CID 26009471
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119410927
1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119404
N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide
CID 51293034
N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119490077
3-(4-ethylpiperazine-1-carbonyl)-N-(1-phenylethyl)benzamide
CID 109053638
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 78773774

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide (CID 78774048) is N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide is CCN1CCN(C(=O)CC(NC(=O)c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is PVFOTJYCMFXZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-24-13-15-25(16-14-24)21(26)17-20(18-9-5-3-6-10-18)23-22(27)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3,(H,23,27).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide?
N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 365.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 78774048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).