2-[(2-methylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone

C15H29N3O — CID 55013400

IUPAC2-[(2-methylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC1CCCCC1CNCC(=O)N1CCN(C)CC1
InChIInChI=1S/C15H29N3O/c1-13-5-3-4-6-14(13)11-16-12-15(19)18-9-7-17(2)8-10-18/h13-14,16H,3-12H2,1-2H3
InChIKeyDALIMWBQZZHRDL-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.18
Rot. Bonds4

About 2-[(2-methylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone

2-[(2-methylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 55013400) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[(2-methylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(2-methylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID55013400
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[(2-methylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC1CCCCC1CNCC(=O)N1CCN(C)CC1
InChIInChI=1S/C15H29N3O/c1-13-5-3-4-6-14(13)11-16-12-15(19)18-9-7-17(2)8-10-18/h13-14,16H,3-12H2,1-2H3
InChIKeyDALIMWBQZZHRDL-UHFFFAOYSA-N
XLogP1.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methylcyclohexyl)methylamino]-1-(4-methylpiperazin-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-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 63681966
2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106129832
2-[(4-ethylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60973098
2-[(1,1-dioxothiolan-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81038478
2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418039
N-cycloheptyl-2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107417977
N-(cyclopropylmethyl)-2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418293
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 63298948
1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
CID 43371059
2-(cyclohexylmethylamino)-1-piperidin-1-ylethanone
CID 43216149
2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119766987
1-(4-methyl-1,4-diazepan-1-yl)-2-[[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methylamino]ethanone
CID 142205067

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(2-methylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone (CID 55013400) is 2-[(2-methylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(2-methylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(2-methylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone is CC1CCCCC1CNCC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-[(2-methylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is DALIMWBQZZHRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13-5-3-4-6-14(13)11-16-12-15(19)18-9-7-17(2)8-10-18/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 2-[(2-methylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[(2-methylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 267.42 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 55013400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).