1-[(2,6-dichlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one

C18H19Cl2N3O2 — CID 1478485

IUPAC1-[(2,6-dichlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one
SMILESCN1CCN(C(=O)c2cccn(Cc3c(Cl)cccc3Cl)c2=O)CC1
InChIInChI=1S/C18H19Cl2N3O2/c1-21-8-10-22(11-9-21)17(24)13-4-3-7-23(18(13)25)12-14-15(19)5-2-6-16(14)20/h2-7H,8-12H2,1H3
InChIKeyHMXGZQUBAYSBOZ-UHFFFAOYSA-N
MW380.28 g/mol
LogP2.59
Rot. Bonds3

About 1-[(2,6-dichlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one

1-[(2,6-dichlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one (PubChem CID 1478485) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one
PubChem CID1478485
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one
SMILESCN1CCN(C(=O)c2cccn(Cc3c(Cl)cccc3Cl)c2=O)CC1
InChIInChI=1S/C18H19Cl2N3O2/c1-21-8-10-22(11-9-21)17(24)13-4-3-7-23(18(13)25)12-14-15(19)5-2-6-16(14)20/h2-7H,8-12H2,1H3
InChIKeyHMXGZQUBAYSBOZ-UHFFFAOYSA-N
XLogP2.59
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2,6-dichlorophenyl)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-[(2,6-dichlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one (CID 1478485) is 1-[(2,6-dichlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one is CN1CCN(C(=O)c2cccn(Cc3c(Cl)cccc3Cl)c2=O)CC1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one?
The InChIKey is HMXGZQUBAYSBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-21-8-10-22(11-9-21)17(24)13-4-3-7-23(18(13)25)12-14-15(19)5-2-6-16(14)20/h2-7H,8-12H2,1H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one?
1-[(2,6-dichlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one has a molecular weight of 380.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 1478485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).