1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one

C13H20FN3O — CID 137449107

IUPAC1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn(C2CCCN(CCF)C2)c1=O
InChIInChI=1S/C13H20FN3O/c1-15-12-5-3-8-17(13(12)18)11-4-2-7-16(10-11)9-6-14/h3,5,8,11,15H,2,4,6-7,9-10H2,1H3
InChIKeyAHDRWJPMSAUYGP-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.50
Rot. Bonds4

About 1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one

1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one (PubChem CID 137449107) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one
PubChem CID137449107
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn(C2CCCN(CCF)C2)c1=O
InChIInChI=1S/C13H20FN3O/c1-15-12-5-3-8-17(13(12)18)11-4-2-7-16(10-11)9-6-14/h3,5,8,11,15H,2,4,6-7,9-10H2,1H3
InChIKeyAHDRWJPMSAUYGP-UHFFFAOYSA-N
XLogP1.50
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamido-2-oxo-1-pyridinyl)-N-cyclohexylacetamide
CID 45268244
N-(3-methylbutyl)-2-(2-oxo-4-piperidin-1-yl-1-pyridinyl)acetamide
CID 90670068
1-Methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one
CID 171346454
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 71849994
6-[(3-piperidin-1-ylazetidin-1-yl)carbonyl]pyridin-2(1H)-one
CID 91786659
6-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-1H-pyridin-2-one
CID 164640688
5-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-1H-pyridin-2-one
CID 130377235
4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)amino]piperidine-1-carboxylic acid
CID 132211447
tert-butyl 4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)amino]piperidine-1-carboxylate
CID 132224869
5-Fluoro-1-(1-methylpiperidin-4-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 137449036
1-[(1S,2S)-2-fluorocyclopropyl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449074
1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one
CID 137449077

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one?
The IUPAC name of 1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one (CID 137449107) is 1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one.
What is the SMILES notation for 1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one?
The canonical SMILES for 1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one is CNc1cccn(C2CCCN(CCF)C2)c1=O.
What is the InChIKey of 1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one?
The InChIKey is AHDRWJPMSAUYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-15-12-5-3-8-17(13(12)18)11-4-2-7-16(10-11)9-6-14/h3,5,8,11,15H,2,4,6-7,9-10H2,1H3.
What are the key properties of 1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one?
1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one has a molecular weight of 253.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one is sourced from PubChem (CID 137449107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).