3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1-prop-2-enylpiperazin-2-one

C15H26N4O3 — CID 110283061

IUPAC3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1-prop-2-enylpiperazin-2-one
SMILESC=CCN1CCNC(CC(=O)N2CCN(CCO)CC2)C1=O
InChIInChI=1S/C15H26N4O3/c1-2-4-19-5-3-16-13(15(19)22)12-14(21)18-8-6-17(7-9-18)10-11-20/h2,13,16,20H,1,3-12H2
InChIKeyAFKPFUDHYNANIA-UHFFFAOYSA-N
MW310.40 g/mol
LogP-1.50
Rot. Bonds6

About 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1-prop-2-enylpiperazin-2-one

3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1-prop-2-enylpiperazin-2-one (PubChem CID 110283061) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1-prop-2-enylpiperazin-2-one.

Molecular Properties

Compound Name3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1-prop-2-enylpiperazin-2-one
PubChem CID110283061
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1-prop-2-enylpiperazin-2-one
SMILESC=CCN1CCNC(CC(=O)N2CCN(CCO)CC2)C1=O
InChIInChI=1S/C15H26N4O3/c1-2-4-19-5-3-16-13(15(19)22)12-14(21)18-8-6-17(7-9-18)10-11-20/h2,13,16,20H,1,3-12H2
InChIKeyAFKPFUDHYNANIA-UHFFFAOYSA-N
XLogP-1.50
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1-prop-2-enylpiperazin-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

3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride
CID 110283038
1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride
CID 110283156
ethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride
CID 110283016
1-(cyclopropylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
CID 110282647
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one
CID 110282733
1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110282635
3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one
CID 110283438
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride
CID 110283062
1-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one
CID 110283912
1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110282452
1-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
CID 110282942
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(3-methylpiperidin-2-yl)ethanone
CID 107147574

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1-prop-2-enylpiperazin-2-one?
The IUPAC name of 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1-prop-2-enylpiperazin-2-one (CID 110283061) is 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1-prop-2-enylpiperazin-2-one.
What is the SMILES notation for 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1-prop-2-enylpiperazin-2-one?
The canonical SMILES for 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1-prop-2-enylpiperazin-2-one is C=CCN1CCNC(CC(=O)N2CCN(CCO)CC2)C1=O.
What is the InChIKey of 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1-prop-2-enylpiperazin-2-one?
The InChIKey is AFKPFUDHYNANIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-2-4-19-5-3-16-13(15(19)22)12-14(21)18-8-6-17(7-9-18)10-11-20/h2,13,16,20H,1,3-12H2.
What are the key properties of 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1-prop-2-enylpiperazin-2-one?
3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1-prop-2-enylpiperazin-2-one has a molecular weight of 310.40 g/mol, XLogP of -1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1-prop-2-enylpiperazin-2-one is sourced from PubChem (CID 110283061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).