[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone

C19H20F2N2O3 — CID 95728291

IUPAC[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone
SMILESCOc1ccc(O)c(C(=O)N2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)c1
InChIInChI=1S/C19H20F2N2O3/c1-26-14-5-7-18(24)15(10-14)19(25)23-8-2-3-13(11-23)22-12-4-6-16(20)17(21)9-12/h4-7,9-10,13,22,24H,2-3,8,11H2,1H3/t13-/m1/s1
InChIKeyZKEZELNXRPAJRR-CYBMUJFWSA-N
MW362.38 g/mol
LogP3.40
Rot. Bonds4

About [(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone

[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone (PubChem CID 95728291) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is [(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone
PubChem CID95728291
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone
SMILESCOc1ccc(O)c(C(=O)N2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)c1
InChIInChI=1S/C19H20F2N2O3/c1-26-14-5-7-18(24)15(10-14)19(25)23-8-2-3-13(11-23)22-12-4-6-16(20)17(21)9-12/h4-7,9-10,13,22,24H,2-3,8,11H2,1H3/t13-/m1/s1
InChIKeyZKEZELNXRPAJRR-CYBMUJFWSA-N
XLogP3.40
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone with MolForge

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Related Compounds

methyl 4-[3-(3,4-difluoroanilino)piperidine-1-carbonyl]benzoate
CID 24793090
[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 95728105
1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid
CID 43355913
cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 25455171
[3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 24791780
2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one
CID 95717027
[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 26398252
[(3S)-3-(3,4-dimethoxyanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 42461601
(3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
CID 42940425
1,3-benzodioxol-5-yl-[3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 45178750
[3-(3,4-difluoroanilino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 24791396
(3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 45192484

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone?
The IUPAC name of [(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone (CID 95728291) is [(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone.
What is the SMILES notation for [(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone?
The canonical SMILES for [(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone is COc1ccc(O)c(C(=O)N2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)c1.
What is the InChIKey of [(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone?
The InChIKey is ZKEZELNXRPAJRR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c1-26-14-5-7-18(24)15(10-14)19(25)23-8-2-3-13(11-23)22-12-4-6-16(20)17(21)9-12/h4-7,9-10,13,22,24H,2-3,8,11H2,1H3/t13-/m1/s1.
What are the key properties of [(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone?
[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone has a molecular weight of 362.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone is sourced from PubChem (CID 95728291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).