5-(4-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide

C23H29FN2O3 — CID 42866511

IUPAC5-(4-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CC(c2ccc(F)cc2)CN(Cc2ccc(OC)cc2)C1
InChIInChI=1S/C23H29FN2O3/c1-28-12-11-25-23(27)20-13-19(18-5-7-21(24)8-6-18)15-26(16-20)14-17-3-9-22(29-2)10-4-17/h3-10,19-20H,11-16H2,1-2H3,(H,25,27)
InChIKeyREMVVJQEGCJMIV-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.20
Rot. Bonds8

About 5-(4-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide

5-(4-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 42866511) has the molecular formula C23H29FN2O3 and a molecular weight of 400.49 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID42866511
Molecular FormulaC23H29FN2O3
Molecular Weight400.49 g/mol
Exact Mass400.22
IUPAC Name5-(4-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CC(c2ccc(F)cc2)CN(Cc2ccc(OC)cc2)C1
InChIInChI=1S/C23H29FN2O3/c1-28-12-11-25-23(27)20-13-19(18-5-7-21(24)8-6-18)15-26(16-20)14-17-3-9-22(29-2)10-4-17/h3-10,19-20H,11-16H2,1-2H3,(H,25,27)
InChIKeyREMVVJQEGCJMIV-UHFFFAOYSA-N
XLogP3.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 42866517
N-[2-(dimethylamino)ethyl]-5-(4-fluoro-3-methylphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 42866616
(3S,5R)-5-(4-ethylphenyl)-1-(4-fluorobenzoyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 92994964
5-(4-ethylphenyl)-1-(4-fluorobenzoyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 46065084
(3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996098
5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 42866558
1-(4-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
CID 46064987
(3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996208
N-(2,4-dimethoxyphenyl)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 42869899
N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4126186
(3S,5S)-1-[(2-fluorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996176
1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
CID 176930266

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide (CID 42866511) is 5-(4-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide is COCCNC(=O)C1CC(c2ccc(F)cc2)CN(Cc2ccc(OC)cc2)C1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is REMVVJQEGCJMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O3/c1-28-12-11-25-23(27)20-13-19(18-5-7-21(24)8-6-18)15-26(16-20)14-17-3-9-22(29-2)10-4-17/h3-10,19-20H,11-16H2,1-2H3,(H,25,27).
What are the key properties of 5-(4-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
5-(4-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 42866511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).