3-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one;hydrochloride

C12H24ClN3O — CID 120899902

IUPAC3-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one;hydrochloride
SMILESCCC1C(=O)NCCN1CC1(C)CCNC1.Cl
InChIInChI=1S/C12H23N3O.ClH/c1-3-10-11(16)14-6-7-15(10)9-12(2)4-5-13-8-12;/h10,13H,3-9H2,1-2H3,(H,14,16);1H
InChIKeyNTCBGOXDIJQHGH-UHFFFAOYSA-N
MW261.80 g/mol
LogP0.62
Rot. Bonds3

About 3-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one;hydrochloride

3-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one;hydrochloride (PubChem CID 120899902) has the molecular formula C12H24ClN3O and a molecular weight of 261.80 g/mol. Its IUPAC name is 3-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name3-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one;hydrochloride
PubChem CID120899902
Molecular FormulaC12H24ClN3O
Molecular Weight261.80 g/mol
Exact Mass261.16
IUPAC Name3-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one;hydrochloride
SMILESCCC1C(=O)NCCN1CC1(C)CCNC1.Cl
InChIInChI=1S/C12H23N3O.ClH/c1-3-10-11(16)14-6-7-15(10)9-12(2)4-5-13-8-12;/h10,13H,3-9H2,1-2H3,(H,14,16);1H
InChIKeyNTCBGOXDIJQHGH-UHFFFAOYSA-N
XLogP0.62
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one;hydrochloride?
The IUPAC name of 3-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one;hydrochloride (CID 120899902) is 3-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 3-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one;hydrochloride?
The canonical SMILES for 3-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one;hydrochloride is CCC1C(=O)NCCN1CC1(C)CCNC1.Cl.
What is the InChIKey of 3-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one;hydrochloride?
The InChIKey is NTCBGOXDIJQHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O.ClH/c1-3-10-11(16)14-6-7-15(10)9-12(2)4-5-13-8-12;/h10,13H,3-9H2,1-2H3,(H,14,16);1H.
What are the key properties of 3-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one;hydrochloride?
3-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one;hydrochloride has a molecular weight of 261.80 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 120899902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).