3-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one;hydrochloride

C13H25ClN4O2 — CID 120981528

IUPAC3-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one;hydrochloride
SMILESCCC1C(=O)NCCN1CCC(=O)N1CCNCC1.Cl
InChIInChI=1S/C13H24N4O2.ClH/c1-2-11-13(19)15-6-10-16(11)7-3-12(18)17-8-4-14-5-9-17;/h11,14H,2-10H2,1H3,(H,15,19);1H
InChIKeyVMIYACHLXHALAT-UHFFFAOYSA-N
MW304.82 g/mol
LogP-0.56
Rot. Bonds4

About 3-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one;hydrochloride

3-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one;hydrochloride (PubChem CID 120981528) has the molecular formula C13H25ClN4O2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 3-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name3-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one;hydrochloride
PubChem CID120981528
Molecular FormulaC13H25ClN4O2
Molecular Weight304.82 g/mol
Exact Mass304.17
IUPAC Name3-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one;hydrochloride
SMILESCCC1C(=O)NCCN1CCC(=O)N1CCNCC1.Cl
InChIInChI=1S/C13H24N4O2.ClH/c1-2-11-13(19)15-6-10-16(11)7-3-12(18)17-8-4-14-5-9-17;/h11,14H,2-10H2,1H3,(H,15,19);1H
InChIKeyVMIYACHLXHALAT-UHFFFAOYSA-N
XLogP-0.56
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one;hydrochloride 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-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-piperazin-1-ylpropan-1-one
CID 120981019
2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid
CID 63600273
3-ethyl-4-(2-oxopropyl)piperazin-2-one
CID 63600634
5-(2-ethyl-3-oxopiperazin-1-yl)pentanehydrazide
CID 63602786
3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
CID 63600882
4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one
CID 63600469
4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride
CID 131089454
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
(3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one
CID 124559943
(3S)-3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one
CID 26412996
3-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one;hydrochloride
CID 120899902
4-[(E)-3-chloroprop-2-enyl]-3-ethylpiperazin-2-one
CID 131234767

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one;hydrochloride?
The IUPAC name of 3-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one;hydrochloride (CID 120981528) is 3-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 3-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one;hydrochloride?
The canonical SMILES for 3-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one;hydrochloride is CCC1C(=O)NCCN1CCC(=O)N1CCNCC1.Cl.
What is the InChIKey of 3-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one;hydrochloride?
The InChIKey is VMIYACHLXHALAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2.ClH/c1-2-11-13(19)15-6-10-16(11)7-3-12(18)17-8-4-14-5-9-17;/h11,14H,2-10H2,1H3,(H,15,19);1H.
What are the key properties of 3-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one;hydrochloride?
3-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 120981528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).