3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one

C12H19N3O — CID 107914211

IUPAC3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
SMILESCN1CCCCC1CCn1cnccc1=O
InChIInChI=1S/C12H19N3O/c1-14-8-3-2-4-11(14)6-9-15-10-13-7-5-12(15)16/h5,7,10-11H,2-4,6,8-9H2,1H3
InChIKeyVVOCZMRTIGWMCC-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.12
Rot. Bonds3

About 3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one

3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one (PubChem CID 107914211) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
PubChem CID107914211
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
SMILESCN1CCCCC1CCn1cnccc1=O
InChIInChI=1S/C12H19N3O/c1-14-8-3-2-4-11(14)6-9-15-10-13-7-5-12(15)16/h5,7,10-11H,2-4,6,8-9H2,1H3
InChIKeyVVOCZMRTIGWMCC-UHFFFAOYSA-N
XLogP1.12
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7,8,9-Tetrahydro-6-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 208417
3-(3-Piperidin-1-ylpropyl)pyrimidin-4-one
CID 76336113
3-Cyclohexyl-3,4-dihydropyrimidin-4-one
CID 58589517
3-piperidin-1-yl-1-(4H-pyrimidin-3-yl)prop-2-en-1-one
CID 129188438
3-(1,2-Dimethylpiperidin-4-yl)-2-methylpyrimidin-4-one
CID 134211371
3-[4-(Azetidin-1-yl)cyclohexyl]pyrimidin-4-one
CID 141283369
3-Tridecan-6-ylpyrimidin-4-one
CID 166789315
3-Tetradecan-7-ylpyrimidin-4-one
CID 169616222
3-Cyclohexyl-2-methylpyrimidin-4-one
CID 174577146
1,6-Dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one
CID 214564
(6S)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 12823305
(R)-6-Methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 12823306

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one (CID 107914211) is 3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one is CN1CCCCC1CCn1cnccc1=O.
What is the InChIKey of 3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The InChIKey is VVOCZMRTIGWMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-14-8-3-2-4-11(14)6-9-15-10-13-7-5-12(15)16/h5,7,10-11H,2-4,6,8-9H2,1H3.
What are the key properties of 3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one has a molecular weight of 221.30 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 107914211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).