(2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide

C15H22N2O2 — CID 120617690

IUPAC(2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCCOc2ccccc2)CCN1
InChIInChI=1S/C15H22N2O2/c1-12-11-13(7-8-16-12)15(18)17-9-10-19-14-5-3-2-4-6-14/h2-6,12-13,16H,7-11H2,1H3,(H,17,18)/t12-,13-/m0/s1
InChIKeyOLFUKIYVRRHYOL-STQMWFEESA-N
MW262.35 g/mol
LogP1.57
Rot. Bonds5

About (2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide

(2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide (PubChem CID 120617690) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
PubChem CID120617690
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCCOc2ccccc2)CCN1
InChIInChI=1S/C15H22N2O2/c1-12-11-13(7-8-16-12)15(18)17-9-10-19-14-5-3-2-4-6-14/h2-6,12-13,16H,7-11H2,1H3,(H,17,18)/t12-,13-/m0/s1
InChIKeyOLFUKIYVRRHYOL-STQMWFEESA-N
XLogP1.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylpiperidine-4-carboxamide
CID 120618324
(2S,4S)-2-methyl-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide
CID 120626268
(2S,4S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120624791
(2S,4S)-2-methyl-N-[2-[3-(3-phenylpropoxy)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120631933
(2S,4S)-N-[2-(3,4-difluorophenoxy)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631586
(2S,4S)-2-methyl-N-[2-(3-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120640817
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
(2S,4S)-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120639700
(2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617248

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide (CID 120617690) is (2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NCCOc2ccccc2)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide?
The InChIKey is OLFUKIYVRRHYOL-STQMWFEESA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-11-13(7-8-16-12)15(18)17-9-10-19-14-5-3-2-4-6-14/h2-6,12-13,16H,7-11H2,1H3,(H,17,18)/t12-,13-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120617690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).