2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone

C18H31N3O2 — CID 119766987

IUPAC2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
SMILESO=C(CNCC1CC1)N1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C18H31N3O2/c22-17(12-15-4-2-1-3-5-15)20-8-10-21(11-9-20)18(23)14-19-13-16-6-7-16/h15-16,19H,1-14H2
InChIKeyOEMLJNZMGNBJLX-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.63
Rot. Bonds6

About 2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone

2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone (PubChem CID 119766987) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
PubChem CID119766987
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
SMILESO=C(CNCC1CC1)N1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C18H31N3O2/c22-17(12-15-4-2-1-3-5-15)20-8-10-21(11-9-20)18(23)14-19-13-16-6-7-16/h15-16,19H,1-14H2
InChIKeyOEMLJNZMGNBJLX-UHFFFAOYSA-N
XLogP1.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-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

1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
CID 43371059
2-(cyclohexylmethylamino)-1-piperidin-1-ylethanone
CID 43216149
2-(cyclohexylmethylamino)-1-morpholin-4-ylethanone
CID 21468665
1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone
CID 106133822
1-(4-acetyl-1,4-diazepan-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119399355
2-cyclopentyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 81424496
2-(cyclopropylmethylamino)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 119833979
4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde
CID 110850251
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911
2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone
CID 65280938
methyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate
CID 95292536
ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate
CID 54916262

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone (CID 119766987) is 2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone is O=C(CNCC1CC1)N1CCN(C(=O)CC2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone?
The InChIKey is OEMLJNZMGNBJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c22-17(12-15-4-2-1-3-5-15)20-8-10-21(11-9-20)18(23)14-19-13-16-6-7-16/h15-16,19H,1-14H2.
What are the key properties of 2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone?
2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone has a molecular weight of 321.47 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 119766987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).