3-(1-propan-2-ylpiperidin-4-yl)-1H-pyridin-2-one

C13H20N2O — CID 176693124

IUPAC3-(1-propan-2-ylpiperidin-4-yl)-1H-pyridin-2-one
SMILESCC(C)N1CCC(c2ccc[nH]c2=O)CC1
InChIInChI=1S/C13H20N2O/c1-10(2)15-8-5-11(6-9-15)12-4-3-7-14-13(12)16/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,14,16)
InChIKeyLYWXAHSHZGTGMO-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.96
Rot. Bonds2

About 3-(1-propan-2-ylpiperidin-4-yl)-1H-pyridin-2-one

3-(1-propan-2-ylpiperidin-4-yl)-1H-pyridin-2-one (PubChem CID 176693124) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(1-propan-2-ylpiperidin-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(1-propan-2-ylpiperidin-4-yl)-1H-pyridin-2-one
PubChem CID176693124
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(1-propan-2-ylpiperidin-4-yl)-1H-pyridin-2-one
SMILESCC(C)N1CCC(c2ccc[nH]c2=O)CC1
InChIInChI=1S/C13H20N2O/c1-10(2)15-8-5-11(6-9-15)12-4-3-7-14-13(12)16/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,14,16)
InChIKeyLYWXAHSHZGTGMO-UHFFFAOYSA-N
XLogP1.96
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1H-pyridin-2-one
CID 54127669
3-[1-(3,4,5-trimethylphenoxy)piperidin-4-yl]-1H-pyridin-2-one
CID 173058396
2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide
CID 47441631
2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrimidin-6-one
CID 117260590
3-(1-acetylpyrrolidin-2-yl)-1H-pyridin-2-one
CID 102539627
4-(2,4-difluorophenyl)-1-propan-2-ylpiperidine
CID 59361746
4-(2-oxo-1H-pyridin-3-yl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CID 71706727
3-[(2R)-1-methylpyrrolidin-1-ium-2-yl]-1H-pyridin-2-one
CID 6954998
3-(2-cyclopropylcyclopropyl)-1H-pyridin-2-one
CID 68788843
[(3aS,7aS)-5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(1H-pyrrol-2-yl)methanone
CID 133136869
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804
5-methyl-3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 110099063

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpiperidin-4-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(1-propan-2-ylpiperidin-4-yl)-1H-pyridin-2-one (CID 176693124) is 3-(1-propan-2-ylpiperidin-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(1-propan-2-ylpiperidin-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(1-propan-2-ylpiperidin-4-yl)-1H-pyridin-2-one is CC(C)N1CCC(c2ccc[nH]c2=O)CC1.
What is the InChIKey of 3-(1-propan-2-ylpiperidin-4-yl)-1H-pyridin-2-one?
The InChIKey is LYWXAHSHZGTGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)15-8-5-11(6-9-15)12-4-3-7-14-13(12)16/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,14,16).
What are the key properties of 3-(1-propan-2-ylpiperidin-4-yl)-1H-pyridin-2-one?
3-(1-propan-2-ylpiperidin-4-yl)-1H-pyridin-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpiperidin-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 176693124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).