(2S)-2-[(5-fluoro-2-pyridinyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one

C14H20FN3O — CID 124880339

IUPAC(2S)-2-[(5-fluoro-2-pyridinyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
SMILESC[C@H](Nc1ccc(F)cn1)C(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C14H20FN3O/c1-10-5-3-4-8-18(10)14(19)11(2)17-13-7-6-12(15)9-16-13/h6-7,9-11H,3-5,8H2,1-2H3,(H,16,17)/t10-,11-/m0/s1
InChIKeyLEWDEKGDSWPKLG-QWRGUYRKSA-N
MW265.33 g/mol
LogP2.42
Rot. Bonds3

About (2S)-2-[(5-fluoro-2-pyridinyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one

(2S)-2-[(5-fluoro-2-pyridinyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one (PubChem CID 124880339) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is (2S)-2-[(5-fluoro-2-pyridinyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-[(5-fluoro-2-pyridinyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
PubChem CID124880339
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name(2S)-2-[(5-fluoro-2-pyridinyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
SMILESC[C@H](Nc1ccc(F)cn1)C(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C14H20FN3O/c1-10-5-3-4-8-18(10)14(19)11(2)17-13-7-6-12(15)9-16-13/h6-7,9-11H,3-5,8H2,1-2H3,(H,16,17)/t10-,11-/m0/s1
InChIKeyLEWDEKGDSWPKLG-QWRGUYRKSA-N
XLogP2.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(5-fluoro-2-pyridinyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one with MolForge

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Related Compounds

2-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one
CID 133343540
6-[[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]amino]pyridine-2-carboxamide
CID 97349074
4-fluoro-N-[3-methyl-1-(2-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzamide
CID 51145484
1-(4-fluorophenyl)-N-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 94811590
1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
CID 133372121
N-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 95296071
1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-(pyridin-4-ylmethyl)urea
CID 95330368
1-(2-methylpiperidin-1-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)propan-1-one
CID 133285551
5-fluoro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 61474336
(2S)-2-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
CID 95286404
5-fluoro-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 61186602
(2R)-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpiperidine-1-carboxamide
CID 95278188

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-fluoro-2-pyridinyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-[(5-fluoro-2-pyridinyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one (CID 124880339) is (2S)-2-[(5-fluoro-2-pyridinyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-[(5-fluoro-2-pyridinyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-[(5-fluoro-2-pyridinyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one is C[C@H](Nc1ccc(F)cn1)C(=O)N1CCCC[C@@H]1C.
What is the InChIKey of (2S)-2-[(5-fluoro-2-pyridinyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one?
The InChIKey is LEWDEKGDSWPKLG-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-10-5-3-4-8-18(10)14(19)11(2)17-13-7-6-12(15)9-16-13/h6-7,9-11H,3-5,8H2,1-2H3,(H,16,17)/t10-,11-/m0/s1.
What are the key properties of (2S)-2-[(5-fluoro-2-pyridinyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one?
(2S)-2-[(5-fluoro-2-pyridinyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one has a molecular weight of 265.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-fluoro-2-pyridinyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 124880339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).