2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide

C22H30N4O3 — CID 9115927

IUPAC2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)NC(=O)NCCC1=CCCCC1
InChIInChI=1S/C22H30N4O3/c27-20(24-22(29)23-12-11-18-7-3-1-4-8-18)17-25-13-15-26(16-14-25)21(28)19-9-5-2-6-10-19/h2,5-7,9-10H,1,3-4,8,11-17H2,(H2,23,24,27,29)
InChIKeyCKWZETKVKRFEOB-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.16
Rot. Bonds6

About 2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide

2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide (PubChem CID 9115927) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide
PubChem CID9115927
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2)CC1)NC(=O)NCCC1=CCCCC1
InChIInChI=1S/C22H30N4O3/c27-20(24-22(29)23-12-11-18-7-3-1-4-8-18)17-25-13-15-26(16-14-25)21(28)19-9-5-2-6-10-19/h2,5-7,9-10H,1,3-4,8,11-17H2,(H2,23,24,27,29)
InChIKeyCKWZETKVKRFEOB-UHFFFAOYSA-N
XLogP2.16
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]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,N'-dibenzoylpiperazine
CID 80185
1-Benzoylpiperazine
CID 762654
AR-M1000390
CID 9841259
N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
CID 2211217
N,N'-1,2-Ethanediylbisbenzamide
CID 69518
2,4-Imidazolidinedione, 5,5-diphenyl-3-(3-(1-piperidinyl)propyl)-
CID 3041343
N-(2-(Diethylamino)ethyl)benzamide
CID 19400
N-(2-(Dimethylamino)ethyl)benzamide
CID 113158
(2S)-N-(cyanomethyl)-3-cyclohexyl-2-(phenylformamido)propanamide
CID 9948720
8-(3-Benzoyl-ureido)-octanoic acid hydroxyamide
CID 11381650
N-benzoyl-phenylalanyl-glycine-nitrile
CID 11702265
N-(2-(1-benzylpiperidin-4-yl)ethyl)benzamide
CID 14783860

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide (CID 9115927) is 2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide is O=C(CN1CCN(C(=O)c2ccccc2)CC1)NC(=O)NCCC1=CCCCC1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide?
The InChIKey is CKWZETKVKRFEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c27-20(24-22(29)23-12-11-18-7-3-1-4-8-18)17-25-13-15-26(16-14-25)21(28)19-9-5-2-6-10-19/h2,5-7,9-10H,1,3-4,8,11-17H2,(H2,23,24,27,29).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide?
2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide has a molecular weight of 398.51 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide is sourced from PubChem (CID 9115927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).