3-methyl-5-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyridin-6-one

C12H20N2O — CID 123704288

IUPAC3-methyl-5-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyridin-6-one
SMILESCC1C=C(C2CCN(C)CC2)C(=O)NC1
InChIInChI=1S/C12H20N2O/c1-9-7-11(12(15)13-8-9)10-3-5-14(2)6-4-10/h7,9-10H,3-6,8H2,1-2H3,(H,13,15)
InChIKeyVMDLOZJMMKCPOR-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.02
Rot. Bonds1

About 3-methyl-5-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyridin-6-one

3-methyl-5-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyridin-6-one (PubChem CID 123704288) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-methyl-5-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name3-methyl-5-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyridin-6-one
PubChem CID123704288
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-methyl-5-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyridin-6-one
SMILESCC1C=C(C2CCN(C)CC2)C(=O)NC1
InChIInChI=1S/C12H20N2O/c1-9-7-11(12(15)13-8-9)10-3-5-14(2)6-4-10/h7,9-10H,3-6,8H2,1-2H3,(H,13,15)
InChIKeyVMDLOZJMMKCPOR-UHFFFAOYSA-N
XLogP1.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydroisoquinolinone
CID 66591041
Hexahydroisoquinolone
CID 67217713
2-{1-[(2E)-Hex-2-EN-1-YL]piperidin-4-YL}-N-methylacetamide
CID 56701855
2-[1-(2-Methylpent-2-enoyl)piperidin-4-yl]acetamide
CID 72154521
N-ethyl-1-(2-methylpent-2-enoyl)piperidine-4-carboxamide
CID 72155674
N-[[4-fluoro-1-(3-methylbutyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide
CID 71256368
6-ethenyl-5-(1-fluoroethenyl)-3-piperidin-4-yl-1H-pyridin-2-one
CID 143228143
7-fluoro-3,4,4a,5-tetrahydro-2H-isoquinolin-1-one
CID 154210590
7-(trifluoromethyl)-3,4,4a,5-tetrahydro-2H-isoquinolin-1-one
CID 163853493
3-(5-Iodopentylidene)piperidin-2-one
CID 71418242
(3E)-3-(5-iodopentylidene)piperidin-2-one
CID 92033858
4-(Aminomethyl)-tetrahydroisoquinolinone
CID 135563818

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 3-methyl-5-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyridin-6-one (CID 123704288) is 3-methyl-5-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 3-methyl-5-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 3-methyl-5-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyridin-6-one is CC1C=C(C2CCN(C)CC2)C(=O)NC1.
What is the InChIKey of 3-methyl-5-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is VMDLOZJMMKCPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-7-11(12(15)13-8-9)10-3-5-14(2)6-4-10/h7,9-10H,3-6,8H2,1-2H3,(H,13,15).
What are the key properties of 3-methyl-5-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyridin-6-one?
3-methyl-5-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 208.31 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 123704288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).