1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone

C14H26N2O — CID 104749970

IUPAC1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone
SMILESCN1CCCN(CC(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-15-8-5-9-16(11-10-15)12-14(17)13-6-3-2-4-7-13/h13H,2-12H2,1H3
InChIKeyBWJXOCWODFVSMO-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.77
Rot. Bonds3

About 1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone

1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone (PubChem CID 104749970) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone
PubChem CID104749970
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone
SMILESCN1CCCN(CC(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-15-8-5-9-16(11-10-15)12-14(17)13-6-3-2-4-7-13/h13H,2-12H2,1H3
InChIKeyBWJXOCWODFVSMO-UHFFFAOYSA-N
XLogP1.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-2-(4-methyl-1,4-diazepan-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-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone
CID 113448723
1-cyclohexyl-2-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107405281
4-(2-cyclohexyl-2-oxoethyl)-1-methylpiperazin-2-one
CID 104750864
1-cyclopentyl-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498957
1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 113448813
1-(azepan-4-yl)-2-piperidin-1-ylethanone
CID 115007035
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 89043934
2-(4-cyclopentylpiperazin-1-yl)-1-cyclopropylethanone
CID 63914774
1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 104750922
1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone
CID 104749900
1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 104750771
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone (CID 104749970) is 1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone is CN1CCCN(CC(=O)C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone?
The InChIKey is BWJXOCWODFVSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-15-8-5-9-16(11-10-15)12-14(17)13-6-3-2-4-7-13/h13H,2-12H2,1H3.
What are the key properties of 1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone?
1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone has a molecular weight of 238.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone is sourced from PubChem (CID 104749970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).