4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one;hydrochloride

C17H27ClN4O2 — CID 120996690

IUPAC4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one;hydrochloride
SMILESCC(C)c1cc(C(=O)N2CCC(N3CCNCC3)C2)cc(=O)[nH]1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-12(2)15-9-13(10-16(22)19-15)17(23)21-6-3-14(11-21)20-7-4-18-5-8-20;/h9-10,12,14,18H,3-8,11H2,1-2H3,(H,19,22);1H
InChIKeyYPVVGAOMCCOADO-UHFFFAOYSA-N
MW354.88 g/mol
LogP1.04
Rot. Bonds3

About 4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one;hydrochloride

4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one;hydrochloride (PubChem CID 120996690) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one;hydrochloride
PubChem CID120996690
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one;hydrochloride
SMILESCC(C)c1cc(C(=O)N2CCC(N3CCNCC3)C2)cc(=O)[nH]1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-12(2)15-9-13(10-16(22)19-15)17(23)21-6-3-14(11-21)20-7-4-18-5-8-20;/h9-10,12,14,18H,3-8,11H2,1-2H3,(H,19,22);1H
InChIKeyYPVVGAOMCCOADO-UHFFFAOYSA-N
XLogP1.04
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-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 4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one;hydrochloride (CID 120996690) is 4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one;hydrochloride is CC(C)c1cc(C(=O)N2CCC(N3CCNCC3)C2)cc(=O)[nH]1.Cl.
What is the InChIKey of 4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one;hydrochloride?
The InChIKey is YPVVGAOMCCOADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-12(2)15-9-13(10-16(22)19-15)17(23)21-6-3-14(11-21)20-7-4-18-5-8-20;/h9-10,12,14,18H,3-8,11H2,1-2H3,(H,19,22);1H.
What are the key properties of 4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one;hydrochloride?
4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 120996690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).