3-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one

C17H31N3O — CID 109014810

IUPAC3-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCNCCC2=CCCCC2)CC1
InChIInChI=1S/C17H31N3O/c1-2-19-12-14-20(15-13-19)17(21)9-11-18-10-8-16-6-4-3-5-7-16/h6,18H,2-5,7-15H2,1H3
InChIKeyZLKXKULVXUEPDN-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.02
Rot. Bonds7

About 3-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one

3-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one (PubChem CID 109014810) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one
PubChem CID109014810
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name3-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCNCCC2=CCCCC2)CC1
InChIInChI=1S/C17H31N3O/c1-2-19-12-14-20(15-13-19)17(21)9-11-18-10-8-16-6-4-3-5-7-16/h6,18H,2-5,7-15H2,1H3
InChIKeyZLKXKULVXUEPDN-UHFFFAOYSA-N
XLogP2.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[3-[2-(cyclohexen-1-yl)ethylamino]propanoyl]piperazine-1-carbaldehyde
CID 109014811
3-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109014873
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109045001
2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 54815369
3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid
CID 106173967
4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid
CID 62324339
[2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109323265
[4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 26276510
2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid
CID 107856024
2-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 108993857
1-(4-ethylpiperazin-1-yl)-3-(2-methylpropylamino)propan-1-one
CID 109012745
3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 109014698

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one (CID 109014810) is 3-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one is CCN1CCN(C(=O)CCNCCC2=CCCCC2)CC1.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one?
The InChIKey is ZLKXKULVXUEPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-2-19-12-14-20(15-13-19)17(21)9-11-18-10-8-16-6-4-3-5-7-16/h6,18H,2-5,7-15H2,1H3.
What are the key properties of 3-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one?
3-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one has a molecular weight of 293.46 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 109014810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).