2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone

C14H27N3O — CID 108993559

IUPAC2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)CNC2CCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-2-16-8-10-17(11-9-16)14(18)12-15-13-6-4-3-5-7-13/h13,15H,2-12H2,1H3
InChIKeyUZWBNHLZTFUCIS-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds4

About 2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone

2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 108993559) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone
PubChem CID108993559
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)CNC2CCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-2-16-8-10-17(11-9-16)14(18)12-15-13-6-4-3-5-7-13/h13,15H,2-12H2,1H3
InChIKeyUZWBNHLZTFUCIS-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(cyclopentylamino)acetyl]piperazin-1-yl]acetic acid
CID 61161596
4-[2-(cyclohexylamino)acetyl]piperazine-1-carbaldehyde
CID 108993560
N-cycloheptyl-4-ethylpiperazine-1-carboxamide
CID 108988502
2-(cyclopentylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone
CID 63163229
2-[4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-1-yl]acetamide
CID 60963214
1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]ethanone
CID 60695761
1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone
CID 60977352
2-(cyclopentylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 22321698
1-(4-ethylpiperazin-1-yl)-2-(methylamino)ethanone
CID 24706244
1,3-bis(4-ethylpiperazin-1-yl)propane-1,3-dione
CID 108944495
2-[(1-ethylazepan-4-yl)amino]acetic acid
CID 65074488
1-(4-methylpiperazin-1-yl)-2-[(1-propylpiperidin-4-yl)amino]ethanone
CID 60695559

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone (CID 108993559) is 2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(C(=O)CNC2CCCCC2)CC1.
What is the InChIKey of 2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is UZWBNHLZTFUCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-16-8-10-17(11-9-16)14(18)12-15-13-6-4-3-5-7-13/h13,15H,2-12H2,1H3.
What are the key properties of 2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone?
2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 253.39 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 108993559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).