1-[(3-chlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one

C18H20ClN3O2 — CID 1478481

IUPAC1-[(3-chlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one
SMILESCN1CCN(C(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)CC1
InChIInChI=1S/C18H20ClN3O2/c1-20-8-10-21(11-9-20)17(23)16-6-3-7-22(18(16)24)13-14-4-2-5-15(19)12-14/h2-7,12H,8-11,13H2,1H3
InChIKeyLTHRDWZFYIVADH-UHFFFAOYSA-N
MW345.83 g/mol
LogP1.94
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one

1-[(3-chlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one (PubChem CID 1478481) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one
PubChem CID1478481
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name1-[(3-chlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one
SMILESCN1CCN(C(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)CC1
InChIInChI=1S/C18H20ClN3O2/c1-20-8-10-21(11-9-20)17(23)16-6-3-7-22(18(16)24)13-14-4-2-5-15(19)12-14/h2-7,12H,8-11,13H2,1H3
InChIKeyLTHRDWZFYIVADH-UHFFFAOYSA-N
XLogP1.94
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3-chlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-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

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one (CID 1478481) is 1-[(3-chlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one is CN1CCN(C(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)CC1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one?
The InChIKey is LTHRDWZFYIVADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-20-8-10-21(11-9-20)17(23)16-6-3-7-22(18(16)24)13-14-4-2-5-15(19)12-14/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one?
1-[(3-chlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one has a molecular weight of 345.83 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 1478481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).