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

C12H18FN3O — CID 137449525

IUPAC1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn([C@H]2CCN(C)C[C@H]2F)c1=O
InChIInChI=1S/C12H18FN3O/c1-14-10-4-3-6-16(12(10)17)11-5-7-15(2)8-9(11)13/h3-4,6,9,11,14H,5,7-8H2,1-2H3/t9-,11+/m1/s1
InChIKeyQRUXBAKCKVKYIP-KOLCDFICSA-N
MW239.29 g/mol
LogP1.10
Rot. Bonds2

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

1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one (PubChem CID 137449525) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one
PubChem CID137449525
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn([C@H]2CCN(C)C[C@H]2F)c1=O
InChIInChI=1S/C12H18FN3O/c1-14-10-4-3-6-16(12(10)17)11-5-7-15(2)8-9(11)13/h3-4,6,9,11,14H,5,7-8H2,1-2H3/t9-,11+/m1/s1
InChIKeyQRUXBAKCKVKYIP-KOLCDFICSA-N
XLogP1.10
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.10
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
1-Methyl-3-(piperidin-4-ylmethylamino)pyridin-2-one
CID 171346454
N-(1-acetylpiperidin-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 45807140
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 71849994
6-[(3S)-4-cyclopentyl-3-methylpiperazine-1-carbonyl]-1H-pyridin-2-one
CID 164640688
1-(Piperidin-4-yl)pyridin-2(1h)-one
CID 68690104
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
3-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-6-oxo-1H-pyridine-2-carboxamide
CID 134434619
5-Fluoro-1-(1-methylpiperidin-4-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 137449036
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-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one?
The IUPAC name of 1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one (CID 137449525) is 1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one.
What is the SMILES notation for 1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one?
The canonical SMILES for 1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one is CNc1cccn([C@H]2CCN(C)C[C@H]2F)c1=O.
What is the InChIKey of 1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one?
The InChIKey is QRUXBAKCKVKYIP-KOLCDFICSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-14-10-4-3-6-16(12(10)17)11-5-7-15(2)8-9(11)13/h3-4,6,9,11,14H,5,7-8H2,1-2H3/t9-,11+/m1/s1.
What are the key properties of 1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one?
1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one has a molecular weight of 239.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one is sourced from PubChem (CID 137449525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).