1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide

C16H21FN2O3 — CID 110793478

IUPAC1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(F)cc1CNC(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C16H21FN2O3/c1-11(20)19-7-5-12(6-8-19)16(21)18-10-13-9-14(17)3-4-15(13)22-2/h3-4,9,12H,5-8,10H2,1-2H3,(H,18,21)
InChIKeyVYKONAPCDCGFGY-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.71
Rot. Bonds4

About 1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide

1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 110793478) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID110793478
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(F)cc1CNC(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C16H21FN2O3/c1-11(20)19-7-5-12(6-8-19)16(21)18-10-13-9-14(17)3-4-15(13)22-2/h3-4,9,12H,5-8,10H2,1-2H3,(H,18,21)
InChIKeyVYKONAPCDCGFGY-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide
CID 32858300
1-(2,4-difluorobenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46586888
1-acetyl-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110795515
(3R)-1-acetyl-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 52512867
1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone
CID 110767129
1-acetyl-N-[4-(2,4-difluorophenoxy)but-2-ynyl]piperidine-4-carboxamide
CID 90577622
1-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 6465009
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 774752
1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-oxopropanamide
CID 115175593
1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003957
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 110793478) is 1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(F)cc1CNC(=O)C1CCN(C(C)=O)CC1.
What is the InChIKey of 1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is VYKONAPCDCGFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-11(20)19-7-5-12(6-8-19)16(21)18-10-13-9-14(17)3-4-15(13)22-2/h3-4,9,12H,5-8,10H2,1-2H3,(H,18,21).
What are the key properties of 1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110793478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).