(3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide

C23H29FN2O2 — CID 92996098

IUPAC(3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)[C@H]1C[C@H](c2cccc(C)c2)CN(Cc2cccc(F)c2)C1
InChIInChI=1S/C23H29FN2O2/c1-17-5-3-7-19(11-17)20-13-21(23(27)25-9-10-28-2)16-26(15-20)14-18-6-4-8-22(24)12-18/h3-8,11-12,20-21H,9-10,13-16H2,1-2H3,(H,25,27)/t20-,21-/m0/s1
InChIKeyCINZEBRIRCLFOI-SFTDATJTSA-N
MW384.50 g/mol
LogP3.50
Rot. Bonds7

About (3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide

(3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide (PubChem CID 92996098) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is (3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide
PubChem CID92996098
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name(3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)[C@H]1C[C@H](c2cccc(C)c2)CN(Cc2cccc(F)c2)C1
InChIInChI=1S/C23H29FN2O2/c1-17-5-3-7-19(11-17)20-13-21(23(27)25-9-10-28-2)16-26(15-20)14-18-6-4-8-22(24)12-18/h3-8,11-12,20-21H,9-10,13-16H2,1-2H3,(H,25,27)/t20-,21-/m0/s1
InChIKeyCINZEBRIRCLFOI-SFTDATJTSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.50
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

(3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996208
5-(4-fluorophenyl)-N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 42866511
N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 46065513
(3S,5S)-1-[(2-fluorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996176
1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 46069460
(3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996083
(3R,5R)-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 92996048
(3R,5S)-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 92996047
(3S,5R)-N-ethyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996062
1-(3-fluorobenzoyl)-N-(2-methoxyethyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 46041560
(3S,5S)-1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92997354
(3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 92996089

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide (CID 92996098) is (3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide is COCCNC(=O)[C@H]1C[C@H](c2cccc(C)c2)CN(Cc2cccc(F)c2)C1.
What is the InChIKey of (3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is CINZEBRIRCLFOI-SFTDATJTSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-17-5-3-7-19(11-17)20-13-21(23(27)25-9-10-28-2)16-26(15-20)14-18-6-4-8-22(24)12-18/h3-8,11-12,20-21H,9-10,13-16H2,1-2H3,(H,25,27)/t20-,21-/m0/s1.
What are the key properties of (3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide?
(3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 92996098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).