1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridin-2-one

C18H20ClN3O2 — CID 3326055

IUPAC1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridin-2-one
SMILESCN1CCN(C(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C18H20ClN3O2/c1-20-8-10-21(11-9-20)18(24)15-4-7-17(23)22(13-15)12-14-2-5-16(19)6-3-14/h2-7,13H,8-12H2,1H3
InChIKeyMWECGTFNUMQVFN-UHFFFAOYSA-N
MW345.83 g/mol
LogP1.94
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridin-2-one

1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridin-2-one (PubChem CID 3326055) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridin-2-one
PubChem CID3326055
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridin-2-one
SMILESCN1CCN(C(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C18H20ClN3O2/c1-20-8-10-21(11-9-20)18(24)15-4-7-17(23)22(13-15)12-14-2-5-16(19)6-3-14/h2-7,13H,8-12H2,1H3
InChIKeyMWECGTFNUMQVFN-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridin-2-one (CID 3326055) is 1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridin-2-one is CN1CCN(C(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridin-2-one?
The InChIKey is MWECGTFNUMQVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-20-8-10-21(11-9-20)18(24)15-4-7-17(23)22(13-15)12-14-2-5-16(19)6-3-14/h2-7,13H,8-12H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridin-2-one?
1-[(4-chlorophenyl)methyl]-5-(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-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 3326055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).