4-(4-ethylpiperazin-1-yl)butan-2-one

C10H20N2O — CID 20802873

IUPAC4-(4-ethylpiperazin-1-yl)butan-2-one
SMILESCCN1CCN(CCC(C)=O)CC1
InChIInChI=1S/C10H20N2O/c1-3-11-6-8-12(9-7-11)5-4-10(2)13/h3-9H2,1-2H3
InChIKeyOQDBIVNQLSUJPE-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.60
Rot. Bonds4

About 4-(4-ethylpiperazin-1-yl)butan-2-one

4-(4-ethylpiperazin-1-yl)butan-2-one (PubChem CID 20802873) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)butan-2-one.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)butan-2-one
PubChem CID20802873
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-(4-ethylpiperazin-1-yl)butan-2-one
SMILESCCN1CCN(CCC(C)=O)CC1
InChIInChI=1S/C10H20N2O/c1-3-11-6-8-12(9-7-11)5-4-10(2)13/h3-9H2,1-2H3
InChIKeyOQDBIVNQLSUJPE-UHFFFAOYSA-N
XLogP0.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-ethylpiperazin-1-yl)butan-2-one 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

6-(4-ethylpiperazin-1-yl)hexan-2-one
CID 43792758
4-[4-(3,3-dimethylbutyl)piperazin-1-yl]butan-2-one
CID 58171906
4-(4-methyl-1,4-diazepan-1-yl)butan-2-one
CID 28830199
1-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-3-one
CID 62625465
4-(4-ethylpiperidin-1-yl)butan-2-one
CID 20686954
4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
CID 57238765
3-(4-ethylpiperazin-1-yl)-N-(3-methylbut-2-en-2-yl)propanamide
CID 123304936
acetic acid;1-ethyl-3-methylimidazolidine
CID 162317080
4-(8-azaspiro[4.5]decan-8-yl)butan-2-one
CID 63158919
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
N-butyl-3-(4-ethylpiperazin-1-yl)propanamide
CID 109012188
2-[4-(carboxymethyl)-10-(3-oxobutyl)-1-oxa-4,7,10-triazacyclododec-7-yl]acetic acid
CID 164874664

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)butan-2-one?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)butan-2-one (CID 20802873) is 4-(4-ethylpiperazin-1-yl)butan-2-one.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)butan-2-one?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)butan-2-one is CCN1CCN(CCC(C)=O)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)butan-2-one?
The InChIKey is OQDBIVNQLSUJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-11-6-8-12(9-7-11)5-4-10(2)13/h3-9H2,1-2H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)butan-2-one?
4-(4-ethylpiperazin-1-yl)butan-2-one has a molecular weight of 184.28 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)butan-2-one is sourced from PubChem (CID 20802873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).