[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone

C19H21FN2O3 — CID 95725177

IUPAC[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@H](Nc3cccc(F)c3)C2)cc1O
InChIInChI=1S/C19H21FN2O3/c1-25-18-8-7-13(10-17(18)23)19(24)22-9-3-6-16(12-22)21-15-5-2-4-14(20)11-15/h2,4-5,7-8,10-11,16,21,23H,3,6,9,12H2,1H3/t16-/m0/s1
InChIKeyPFMLSJHWZKCHGE-INIZCTEOSA-N
MW344.39 g/mol
LogP3.26
Rot. Bonds4

About [(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone

[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone (PubChem CID 95725177) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is [(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
PubChem CID95725177
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@H](Nc3cccc(F)c3)C2)cc1O
InChIInChI=1S/C19H21FN2O3/c1-25-18-8-7-13(10-17(18)23)19(24)22-9-3-6-16(12-22)21-15-5-2-4-14(20)11-15/h2,4-5,7-8,10-11,16,21,23H,3,6,9,12H2,1H3/t16-/m0/s1
InChIKeyPFMLSJHWZKCHGE-INIZCTEOSA-N
XLogP3.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone with MolForge

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Related Compounds

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
(3,4-dimethoxyphenyl)-[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 42509571
5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol
CID 42457494
[(3S)-3-(3,4-dimethoxyanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 42461601
[3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone
CID 24791859
1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone
CID 25370122
[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 95717763
methyl 4-[3-(3,4-difluoroanilino)piperidine-1-carbonyl]benzoate
CID 24793090
(3-chloropyrrolidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79733149
[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 56900540
(5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493446

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone?
The IUPAC name of [(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone (CID 95725177) is [(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone.
What is the SMILES notation for [(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone?
The canonical SMILES for [(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCC[C@H](Nc3cccc(F)c3)C2)cc1O.
What is the InChIKey of [(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone?
The InChIKey is PFMLSJHWZKCHGE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-25-18-8-7-13(10-17(18)23)19(24)22-9-3-6-16(12-22)21-15-5-2-4-14(20)11-15/h2,4-5,7-8,10-11,16,21,23H,3,6,9,12H2,1H3/t16-/m0/s1.
What are the key properties of [(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone?
[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone has a molecular weight of 344.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone is sourced from PubChem (CID 95725177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).