1-(3-fluorobenzoyl)-N-(2-methoxyethyl)-6-(3-methylphenyl)piperidine-3-carboxamide

C23H27FN2O3 — CID 46041560

IUPAC1-(3-fluorobenzoyl)-N-(2-methoxyethyl)-6-(3-methylphenyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCC(c2cccc(C)c2)N(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C23H27FN2O3/c1-16-5-3-6-17(13-16)21-10-9-19(22(27)25-11-12-29-2)15-26(21)23(28)18-7-4-8-20(24)14-18/h3-8,13-14,19,21H,9-12,15H2,1-2H3,(H,25,27)
InChIKeyXGEPNBRLIRRIEA-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.49
Rot. Bonds6

About 1-(3-fluorobenzoyl)-N-(2-methoxyethyl)-6-(3-methylphenyl)piperidine-3-carboxamide

1-(3-fluorobenzoyl)-N-(2-methoxyethyl)-6-(3-methylphenyl)piperidine-3-carboxamide (PubChem CID 46041560) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 1-(3-fluorobenzoyl)-N-(2-methoxyethyl)-6-(3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorobenzoyl)-N-(2-methoxyethyl)-6-(3-methylphenyl)piperidine-3-carboxamide
PubChem CID46041560
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name1-(3-fluorobenzoyl)-N-(2-methoxyethyl)-6-(3-methylphenyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCC(c2cccc(C)c2)N(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C23H27FN2O3/c1-16-5-3-6-17(13-16)21-10-9-19(22(27)25-11-12-29-2)15-26(21)23(28)18-7-4-8-20(24)14-18/h3-8,13-14,19,21H,9-12,15H2,1-2H3,(H,25,27)
InChIKeyXGEPNBRLIRRIEA-UHFFFAOYSA-N
XLogP3.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-(3-fluorobenzoyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 42849514
1-(3-fluorobenzoyl)-6-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 42849513
(3S,6R)-1-(4-fluorobenzoyl)-6-(3-methylphenyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 93328515
(3R,6S)-1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 93291208
(3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide
CID 93328250
(3S,6R)-1-(3-fluoro-4-methylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671510
(3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996098
(3S,6S)-1-(3,4-difluorobenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671496
1-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide
CID 42868375
(3R,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328136
(3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328137
(2R)-1-[3-[(3-fluorobenzoyl)amino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 92895040

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobenzoyl)-N-(2-methoxyethyl)-6-(3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-fluorobenzoyl)-N-(2-methoxyethyl)-6-(3-methylphenyl)piperidine-3-carboxamide (CID 46041560) is 1-(3-fluorobenzoyl)-N-(2-methoxyethyl)-6-(3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-fluorobenzoyl)-N-(2-methoxyethyl)-6-(3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-fluorobenzoyl)-N-(2-methoxyethyl)-6-(3-methylphenyl)piperidine-3-carboxamide is COCCNC(=O)C1CCC(c2cccc(C)c2)N(C(=O)c2cccc(F)c2)C1.
What is the InChIKey of 1-(3-fluorobenzoyl)-N-(2-methoxyethyl)-6-(3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is XGEPNBRLIRRIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-16-5-3-6-17(13-16)21-10-9-19(22(27)25-11-12-29-2)15-26(21)23(28)18-7-4-8-20(24)14-18/h3-8,13-14,19,21H,9-12,15H2,1-2H3,(H,25,27).
What are the key properties of 1-(3-fluorobenzoyl)-N-(2-methoxyethyl)-6-(3-methylphenyl)piperidine-3-carboxamide?
1-(3-fluorobenzoyl)-N-(2-methoxyethyl)-6-(3-methylphenyl)piperidine-3-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobenzoyl)-N-(2-methoxyethyl)-6-(3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 46041560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).