1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone

C14H19FN2O2 — CID 25370122

IUPAC1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@H](Nc2cccc(F)c2)C1
InChIInChI=1S/C14H19FN2O2/c1-19-10-14(18)17-7-3-6-13(9-17)16-12-5-2-4-11(15)8-12/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3/t13-/m0/s1
InChIKeyXWWAKEONUZNQNK-ZDUSSCGKSA-N
MW266.32 g/mol
LogP1.88
Rot. Bonds4

About 1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone

1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone (PubChem CID 25370122) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone
PubChem CID25370122
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@H](Nc2cccc(F)c2)C1
InChIInChI=1S/C14H19FN2O2/c1-19-10-14(18)17-7-3-6-13(9-17)16-12-5-2-4-11(15)8-12/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3/t13-/m0/s1
InChIKeyXWWAKEONUZNQNK-ZDUSSCGKSA-N
XLogP1.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-3-(1-methylpiperidin-4-yl)propan-1-one
CID 95713603
1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 26321736
1-[3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 45222417
1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 25447576
1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone
CID 56743313
1-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone
CID 95200233
1-[3-(3-fluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
CID 24816937
[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 95725177
N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide
CID 25380229
2-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
CID 95728663
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-phenoxyethanone
CID 42147628
[3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone
CID 24791859

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone (CID 25370122) is 1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC[C@H](Nc2cccc(F)c2)C1.
What is the InChIKey of 1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone?
The InChIKey is XWWAKEONUZNQNK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-19-10-14(18)17-7-3-6-13(9-17)16-12-5-2-4-11(15)8-12/h2,4-5,8,13,16H,3,6-7,9-10H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone?
1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone has a molecular weight of 266.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 25370122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).