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

C16H21FN2O4 — CID 128988868

IUPAC1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide
SMILESCOc1cc(F)cc(CNC(=O)C2(O)CCCN(C(C)=O)C2)c1
InChIInChI=1S/C16H21FN2O4/c1-11(20)19-5-3-4-16(22,10-19)15(21)18-9-12-6-13(17)8-14(7-12)23-2/h6-8,22H,3-5,9-10H2,1-2H3,(H,18,21)
InChIKeyFRUJYUWFOZXENU-UHFFFAOYSA-N
MW324.35 g/mol
LogP0.82
Rot. Bonds4

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

1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide (PubChem CID 128988868) has the molecular formula C16H21FN2O4 and a molecular weight of 324.35 g/mol. Its IUPAC name is 1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide
PubChem CID128988868
Molecular FormulaC16H21FN2O4
Molecular Weight324.35 g/mol
Exact Mass324.15
IUPAC Name1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide
SMILESCOc1cc(F)cc(CNC(=O)C2(O)CCCN(C(C)=O)C2)c1
InChIInChI=1S/C16H21FN2O4/c1-11(20)19-5-3-4-16(22,10-19)15(21)18-9-12-6-13(17)8-14(7-12)23-2/h6-8,22H,3-5,9-10H2,1-2H3,(H,18,21)
InChIKeyFRUJYUWFOZXENU-UHFFFAOYSA-N
XLogP0.82
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129345621
1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 167815427
(3S)-1-acetyl-N-[2-(3-fluorophenoxy)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 129483290
1-acetyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 128987481
(3S)-1-acetyl-N-[(4-chloro-2,5-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129485409
(3R)-1-acetyl-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 129345760
(3S)-1-acetyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-hydroxypiperidine-3-carboxamide
CID 129485209
(3R)-1-acetyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-hydroxypiperidine-3-carboxamide
CID 129485208
(3S)-1-acetyl-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129486351
1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 140694545
1-[2-(4-fluorophenyl)acetyl]-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117070
(3S)-1-[2-(4-fluorophenyl)acetyl]-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087413

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide (CID 128988868) is 1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide is COc1cc(F)cc(CNC(=O)C2(O)CCCN(C(C)=O)C2)c1.
What is the InChIKey of 1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The InChIKey is FRUJYUWFOZXENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O4/c1-11(20)19-5-3-4-16(22,10-19)15(21)18-9-12-6-13(17)8-14(7-12)23-2/h6-8,22H,3-5,9-10H2,1-2H3,(H,18,21).
What are the key properties of 1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide has a molecular weight of 324.35 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 128988868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).