1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-propan-2-ylpyridin-2-one

C14H21FN2O — CID 177200338

IUPAC1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1cccn([C@@H]2CCN(C)C[C@@H]2F)c1=O
InChIInChI=1S/C14H21FN2O/c1-10(2)11-5-4-7-17(14(11)18)13-6-8-16(3)9-12(13)15/h4-5,7,10,12-13H,6,8-9H2,1-3H3/t12-,13+/m0/s1
InChIKeyZIDMMCDAQNZBJT-QWHCGFSZSA-N
MW252.33 g/mol
LogP2.19
Rot. Bonds2

About 1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-propan-2-ylpyridin-2-one

1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-propan-2-ylpyridin-2-one (PubChem CID 177200338) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-propan-2-ylpyridin-2-one
PubChem CID177200338
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1cccn([C@@H]2CCN(C)C[C@@H]2F)c1=O
InChIInChI=1S/C14H21FN2O/c1-10(2)11-5-4-7-17(14(11)18)13-6-8-16(3)9-12(13)15/h4-5,7,10,12-13H,6,8-9H2,1-3H3/t12-,13+/m0/s1
InChIKeyZIDMMCDAQNZBJT-QWHCGFSZSA-N
XLogP2.19
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-Dimethylpiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 53522342
5-Fluoro-1,3-di(propan-2-yl)pyridin-2-one
CID 89728117
1-[5-Fluoro-4-[(4-methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]-3-methylpyridin-2-one
CID 123462281
5-[2-(5-Fluoro-2-oxo-3-propan-2-yl-1-pyridinyl)propyl]-1,3-di(propan-2-yl)pyridin-2-one
CID 130388598
(E,2Z)-2-ethylidene-3-fluoro-N-(1-methylpiperidin-4-yl)-N-propan-2-ylpent-3-enamide
CID 132078819
1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-3-methylpyridin-2-one
CID 142523569
6-Fluoro-1,3-di(propan-2-yl)pyridin-2-one
CID 146569437
3-Tert-butyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one
CID 156357512
3-Tert-butyl-1-(3-fluoro-1-methylpiperidin-4-yl)pyridin-2-one
CID 156357514
3-Tert-butyl-1-(3,3-difluoro-1-methylpiperidin-4-yl)pyridin-2-one
CID 156357515
3-Ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one
CID 156737838
1-[3-(3,3-Difluoropiperidin-1-yl)propyl]-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane
CID 164559867

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-propan-2-ylpyridin-2-one?
The IUPAC name of 1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-propan-2-ylpyridin-2-one (CID 177200338) is 1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-propan-2-ylpyridin-2-one is CC(C)c1cccn([C@@H]2CCN(C)C[C@@H]2F)c1=O.
What is the InChIKey of 1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-propan-2-ylpyridin-2-one?
The InChIKey is ZIDMMCDAQNZBJT-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(2)11-5-4-7-17(14(11)18)13-6-8-16(3)9-12(13)15/h4-5,7,10,12-13H,6,8-9H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of 1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-propan-2-ylpyridin-2-one?
1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-propan-2-ylpyridin-2-one has a molecular weight of 252.33 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 177200338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).