1-(2-acetyl-3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

C22H25FN2O3 — CID 133341581

IUPAC1-(2-acetyl-3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3cccc(F)c3C(C)=O)CC2)cc1
InChIInChI=1S/C22H25FN2O3/c1-15(26)21-19(23)4-3-5-20(21)25-12-10-17(11-13-25)22(27)24-14-16-6-8-18(28-2)9-7-16/h3-9,17H,10-14H2,1-2H3,(H,24,27)
InChIKeyVIYXVJDYMVKXEL-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.57
Rot. Bonds6

About 1-(2-acetyl-3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

1-(2-acetyl-3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 133341581) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 1-(2-acetyl-3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-acetyl-3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID133341581
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name1-(2-acetyl-3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3cccc(F)c3C(C)=O)CC2)cc1
InChIInChI=1S/C22H25FN2O3/c1-15(26)21-19(23)4-3-5-20(21)25-12-10-17(11-13-25)22(27)24-14-16-6-8-18(28-2)9-7-16/h3-9,17H,10-14H2,1-2H3,(H,24,27)
InChIKeyVIYXVJDYMVKXEL-UHFFFAOYSA-N
XLogP3.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(3-fluorophenyl)sulfanylpyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 50845633
2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 134698273
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222630
N-[(4-methoxyphenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 25354339
methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate
CID 10882206
1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 131894163
(3S)-1-(2-acetyl-3-fluorophenyl)pyrrolidine-3-carboxamide
CID 94434168
N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 4876895
N-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 133341503
N-[(4-methoxyphenyl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514032
1-(2-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 17152768

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-acetyl-3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 133341581) is 1-(2-acetyl-3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-acetyl-3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-acetyl-3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(c3cccc(F)c3C(C)=O)CC2)cc1.
What is the InChIKey of 1-(2-acetyl-3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is VIYXVJDYMVKXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-15(26)21-19(23)4-3-5-20(21)25-12-10-17(11-13-25)22(27)24-14-16-6-8-18(28-2)9-7-16/h3-9,17H,10-14H2,1-2H3,(H,24,27).
What are the key properties of 1-(2-acetyl-3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(2-acetyl-3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 133341581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).