1-[2-(5-fluoro-2-methoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide

C15H19FN2O4 — CID 128988914

IUPAC1-[2-(5-fluoro-2-methoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
SMILESCOc1ccc(F)cc1CC(=O)N1CCCC(O)(C(N)=O)C1
InChIInChI=1S/C15H19FN2O4/c1-22-12-4-3-11(16)7-10(12)8-13(19)18-6-2-5-15(21,9-18)14(17)20/h3-4,7,21H,2,5-6,8-9H2,1H3,(H2,17,20)
InChIKeyFPVDWGUYKITSSK-UHFFFAOYSA-N
MW310.32 g/mol
LogP0.22
Rot. Bonds4

About 1-[2-(5-fluoro-2-methoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide

1-[2-(5-fluoro-2-methoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide (PubChem CID 128988914) has the molecular formula C15H19FN2O4 and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-[2-(5-fluoro-2-methoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(5-fluoro-2-methoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
PubChem CID128988914
Molecular FormulaC15H19FN2O4
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name1-[2-(5-fluoro-2-methoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
SMILESCOc1ccc(F)cc1CC(=O)N1CCCC(O)(C(N)=O)C1
InChIInChI=1S/C15H19FN2O4/c1-22-12-4-3-11(16)7-10(12)8-13(19)18-6-2-5-15(21,9-18)14(17)20/h3-4,7,21H,2,5-6,8-9H2,1H3,(H2,17,20)
InChIKeyFPVDWGUYKITSSK-UHFFFAOYSA-N
XLogP0.22
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-(3-fluorophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129485444
1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone
CID 110767129
1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 155991746
2-(5-fluoro-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82087911
(3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide
CID 100651991
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(5-fluoro-2-methoxyphenyl)ethanone
CID 110806569
(3S)-1-(4-chloro-2-methoxybenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129485552
1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 128964748
1-[(2-chloro-5-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964608
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
(3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129486382
2-(5-chloro-2-methoxyphenyl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406639

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-2-methoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of 1-[2-(5-fluoro-2-methoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide (CID 128988914) is 1-[2-(5-fluoro-2-methoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(5-fluoro-2-methoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(5-fluoro-2-methoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide is COc1ccc(F)cc1CC(=O)N1CCCC(O)(C(N)=O)C1.
What is the InChIKey of 1-[2-(5-fluoro-2-methoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide?
The InChIKey is FPVDWGUYKITSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4/c1-22-12-4-3-11(16)7-10(12)8-13(19)18-6-2-5-15(21,9-18)14(17)20/h3-4,7,21H,2,5-6,8-9H2,1H3,(H2,17,20).
What are the key properties of 1-[2-(5-fluoro-2-methoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide?
1-[2-(5-fluoro-2-methoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide has a molecular weight of 310.32 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-2-methoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 128988914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).