1-methyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-one

C19H25N3O — CID 53191665

IUPAC1-methyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-one
SMILESCc1ccc(CN2CCN(Cc3ccc(=O)n(C)c3)CC2)cc1
InChIInChI=1S/C19H25N3O/c1-16-3-5-17(6-4-16)14-21-9-11-22(12-10-21)15-18-7-8-19(23)20(2)13-18/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyFYLMPYKXMOXFBS-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.01
Rot. Bonds4

About 1-methyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-one

1-methyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-one (PubChem CID 53191665) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-methyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-one
PubChem CID53191665
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-methyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-one
SMILESCc1ccc(CN2CCN(Cc3ccc(=O)n(C)c3)CC2)cc1
InChIInChI=1S/C19H25N3O/c1-16-3-5-17(6-4-16)14-21-9-11-22(12-10-21)15-18-7-8-19(23)20(2)13-18/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyFYLMPYKXMOXFBS-UHFFFAOYSA-N
XLogP2.01
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
3-(4-Isobutylphenyl)-1-piperidino-2-propen-1-one
CID 6116364
1-Benzyl-1,2-dihydropyridin-2-one
CID 244078
(1-Isopropylpiperidin-4-yl)(4-(piperidin-1-ylmethyl)phenyl)methanone
CID 10359235
(2E)-1-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one
CID 835862
(4-Methyl-1-piperazinyl)phenylmethanone
CID 1531644
1-Benzyl-4-hexylpyridin-2-one
CID 121493777
LOX inhibitor, 13
CID 123131598
3-Methyl-1-[4-(4-methyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 742522
[4-(Diethylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 10023270
[4-[(Dimethylamino)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 10428707
(4-Methylpiperazin-1-yl)[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 15310636

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-one (CID 53191665) is 1-methyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-one is Cc1ccc(CN2CCN(Cc3ccc(=O)n(C)c3)CC2)cc1.
What is the InChIKey of 1-methyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-one?
The InChIKey is FYLMPYKXMOXFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-16-3-5-17(6-4-16)14-21-9-11-22(12-10-21)15-18-7-8-19(23)20(2)13-18/h3-8,13H,9-12,14-15H2,1-2H3.
What are the key properties of 1-methyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-one?
1-methyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-one has a molecular weight of 311.43 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-one is sourced from PubChem (CID 53191665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).