1-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one

C19H23N3O2 — CID 70779876

IUPAC1-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one
SMILESCc1cccc(CN2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)c1
InChIInChI=1S/C19H23N3O2/c1-15-4-3-5-16(12-15)13-21-8-10-22(11-9-21)19(24)17-6-7-18(23)20(2)14-17/h3-7,12,14H,8-11,13H2,1-2H3
InChIKeyGMPIEGYTNFDXHE-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.65
Rot. Bonds3

About 1-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one

1-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one (PubChem CID 70779876) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one
PubChem CID70779876
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one
SMILESCc1cccc(CN2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)c1
InChIInChI=1S/C19H23N3O2/c1-15-4-3-5-16(12-15)13-21-8-10-22(11-9-21)19(24)17-6-7-18(23)20(2)14-17/h3-7,12,14H,8-11,13H2,1-2H3
InChIKeyGMPIEGYTNFDXHE-UHFFFAOYSA-N
XLogP1.65
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 828785
(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366010
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55361222
(5-bromofuran-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 39322873
1-[[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 32759097
2-(4-benzoylpiperazin-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 24677865
1-[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]piperidin-2-one
CID 134040966
(1,5-dimethylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19478078
(2,3-dichlorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325337
1-methyl-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carboxylic acid
CID 19498274
1-(4-fluorophenyl)-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyridin-2-one
CID 91955061

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one (CID 70779876) is 1-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one is Cc1cccc(CN2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)c1.
What is the InChIKey of 1-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one?
The InChIKey is GMPIEGYTNFDXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15-4-3-5-16(12-15)13-21-8-10-22(11-9-21)19(24)17-6-7-18(23)20(2)14-17/h3-7,12,14H,8-11,13H2,1-2H3.
What are the key properties of 1-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one?
1-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one has a molecular weight of 325.41 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 70779876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).