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

C22H27FN2O — CID 92996062

IUPAC(3S,5R)-N-ethyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
SMILESCCNC(=O)[C@H]1C[C@H](c2cccc(C)c2)CN(Cc2ccccc2F)C1
InChIInChI=1S/C22H27FN2O/c1-3-24-22(26)20-12-19(17-9-6-7-16(2)11-17)14-25(15-20)13-18-8-4-5-10-21(18)23/h4-11,19-20H,3,12-15H2,1-2H3,(H,24,26)/t19-,20-/m0/s1
InChIKeyYBDKHMQPMBHKOT-PMACEKPBSA-N
MW354.47 g/mol
LogP3.88
Rot. Bonds5

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

(3S,5R)-N-ethyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide (PubChem CID 92996062) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is (3S,5R)-N-ethyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5R)-N-ethyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
PubChem CID92996062
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name(3S,5R)-N-ethyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
SMILESCCNC(=O)[C@H]1C[C@H](c2cccc(C)c2)CN(Cc2ccccc2F)C1
InChIInChI=1S/C22H27FN2O/c1-3-24-22(26)20-12-19(17-9-6-7-16(2)11-17)14-25(15-20)13-18-8-4-5-10-21(18)23/h4-11,19-20H,3,12-15H2,1-2H3,(H,24,26)/t19-,20-/m0/s1
InChIKeyYBDKHMQPMBHKOT-PMACEKPBSA-N
XLogP3.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
(3R,5S)-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996067
N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 46065513
1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 46069460
(3S,5S)-1-[(2-fluorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996176
(3S,5S)-1-[(2,4-difluorophenyl)methyl]-5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92997354
1-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide
CID 42865550
(3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996098
1-[(2,4-difluorophenyl)methyl]-5-phenyl-N-prop-2-enylpiperidine-3-carboxamide
CID 42865682
(3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 92996089
1-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-phenylpiperidine-3-carboxamide
CID 42865681

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-N-ethyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S,5R)-N-ethyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide (CID 92996062) is (3S,5R)-N-ethyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,5R)-N-ethyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,5R)-N-ethyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide is CCNC(=O)[C@H]1C[C@H](c2cccc(C)c2)CN(Cc2ccccc2F)C1.
What is the InChIKey of (3S,5R)-N-ethyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is YBDKHMQPMBHKOT-PMACEKPBSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-3-24-22(26)20-12-19(17-9-6-7-16(2)11-17)14-25(15-20)13-18-8-4-5-10-21(18)23/h4-11,19-20H,3,12-15H2,1-2H3,(H,24,26)/t19-,20-/m0/s1.
What are the key properties of (3S,5R)-N-ethyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide?
(3S,5R)-N-ethyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-N-ethyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 92996062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).