1,3-dimethyl-5-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]pyridin-2-one

C19H25N3O — CID 134247808

IUPAC1,3-dimethyl-5-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]pyridin-2-one
SMILESCc1cc(-c2cc(C)c(=O)n(C)c2)ccc1CN1CCNCC1
InChIInChI=1S/C19H25N3O/c1-14-10-16(18-11-15(2)19(23)21(3)12-18)4-5-17(14)13-22-8-6-20-7-9-22/h4-5,10-12,20H,6-9,13H2,1-3H3
InChIKeyAVZWGWYTZDFORQ-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.07
Rot. Bonds3

About 1,3-dimethyl-5-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]pyridin-2-one

1,3-dimethyl-5-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]pyridin-2-one (PubChem CID 134247808) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1,3-dimethyl-5-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]pyridin-2-one
PubChem CID134247808
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1,3-dimethyl-5-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]pyridin-2-one
SMILESCc1cc(-c2cc(C)c(=O)n(C)c2)ccc1CN1CCNCC1
InChIInChI=1S/C19H25N3O/c1-14-10-16(18-11-15(2)19(23)21(3)12-18)4-5-17(14)13-22-8-6-20-7-9-22/h4-5,10-12,20H,6-9,13H2,1-3H3
InChIKeyAVZWGWYTZDFORQ-UHFFFAOYSA-N
XLogP2.07
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(chloromethyl)-3-methylphenyl]-1,3-dimethylpyridin-2-one
CID 134247830
1-[(2-methyl-4-pyridin-3-ylphenyl)methyl]piperazine;piperazine
CID 174836190
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
1-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine
CID 123373563
5-[4-[[4-[(3-fluorobenzimidazol-5-yl)methyl]piperazin-1-yl]methyl]-3-methoxyphenyl]-1,3-dimethylpyridin-2-one
CID 167131952
5-[3-methoxy-4-(methylaminomethyl)phenyl]-1,3-dimethylpyridin-2-one
CID 134258720
1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 120834258
5-methyl-3-(piperazin-1-ylmethyl)-1H-pyridin-2-one
CID 82507416
5-[4-(2,5-diazabicyclo[2.2.0]hexan-2-ylmethyl)-3-methoxyphenyl]-1,3-dimethylpyridin-2-one
CID 167131862
1-methyl-4-[[2-methyl-4-(3-methylphenyl)phenyl]methyl]piperazine
CID 123946269
5-[4-[1-(dimethylamino)cyclopropyl]-3-methylphenyl]-1,3-dimethylpyridin-2-one
CID 134258609
5-[3-methoxy-4-[(5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl)methyl]phenyl]-1,3-dimethylpyridin-2-one
CID 167131888

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]pyridin-2-one (CID 134247808) is 1,3-dimethyl-5-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]pyridin-2-one is Cc1cc(-c2cc(C)c(=O)n(C)c2)ccc1CN1CCNCC1.
What is the InChIKey of 1,3-dimethyl-5-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]pyridin-2-one?
The InChIKey is AVZWGWYTZDFORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-10-16(18-11-15(2)19(23)21(3)12-18)4-5-17(14)13-22-8-6-20-7-9-22/h4-5,10-12,20H,6-9,13H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]pyridin-2-one?
1,3-dimethyl-5-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]pyridin-2-one has a molecular weight of 311.43 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 134247808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).