2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide

C23H37N3O — CID 78899021

IUPAC2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide
SMILESCC(C)CN1CCN(CC(=O)NCC2(c3ccccc3)CCCCC2)CC1
InChIInChI=1S/C23H37N3O/c1-20(2)17-25-13-15-26(16-14-25)18-22(27)24-19-23(11-7-4-8-12-23)21-9-5-3-6-10-21/h3,5-6,9-10,20H,4,7-8,11-19H2,1-2H3,(H,24,27)
InChIKeyILWQTCPMJXUBIH-UHFFFAOYSA-N
MW371.57 g/mol
LogP3.28
Rot. Bonds7

About 2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide

2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide (PubChem CID 78899021) has the molecular formula C23H37N3O and a molecular weight of 371.57 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide
PubChem CID78899021
Molecular FormulaC23H37N3O
Molecular Weight371.57 g/mol
Exact Mass371.29
IUPAC Name2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide
SMILESCC(C)CN1CCN(CC(=O)NCC2(c3ccccc3)CCCCC2)CC1
InChIInChI=1S/C23H37N3O/c1-20(2)17-25-13-15-26(16-14-25)18-22(27)24-19-23(11-7-4-8-12-23)21-9-5-3-6-10-21/h3,5-6,9-10,20H,4,7-8,11-19H2,1-2H3,(H,24,27)
InChIKeyILWQTCPMJXUBIH-UHFFFAOYSA-N
XLogP3.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]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

2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 95312893
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750
2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 35269989
N-methyl-1-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 37461814
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 111123150
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 120773560
2-[(1R,6R)-7,7-difluoro-3-azabicyclo[4.1.0]heptan-3-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 124884559
N-(2-methylpropyl)-N'-[(1-phenylcyclopentyl)methyl]oxamide
CID 40566076
2-(3-hydroxypiperidin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 134038296
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcycloheptyl)methyl]acetamide
CID 99803682
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 34049003

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide (CID 78899021) is 2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide is CC(C)CN1CCN(CC(=O)NCC2(c3ccccc3)CCCCC2)CC1.
What is the InChIKey of 2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide?
The InChIKey is ILWQTCPMJXUBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O/c1-20(2)17-25-13-15-26(16-14-25)18-22(27)24-19-23(11-7-4-8-12-23)21-9-5-3-6-10-21/h3,5-6,9-10,20H,4,7-8,11-19H2,1-2H3,(H,24,27).
What are the key properties of 2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide?
2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide has a molecular weight of 371.57 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 78899021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).