(2S,4S)-2-methyl-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide

C21H26N2O2 — CID 120626268

IUPAC(2S,4S)-2-methyl-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCCOc2ccccc2-c2ccccc2)CCN1
InChIInChI=1S/C21H26N2O2/c1-16-15-18(11-12-22-16)21(24)23-13-14-25-20-10-6-5-9-19(20)17-7-3-2-4-8-17/h2-10,16,18,22H,11-15H2,1H3,(H,23,24)/t16-,18-/m0/s1
InChIKeyLWPIYEVWBRAQAR-WMZOPIPTSA-N
MW338.45 g/mol
LogP3.24
Rot. Bonds6

About (2S,4S)-2-methyl-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide (PubChem CID 120626268) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide
PubChem CID120626268
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2S,4S)-2-methyl-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCCOc2ccccc2-c2ccccc2)CCN1
InChIInChI=1S/C21H26N2O2/c1-16-15-18(11-12-22-16)21(24)23-13-14-25-20-10-6-5-9-19(20)17-7-3-2-4-8-17/h2-10,16,18,22H,11-15H2,1H3,(H,23,24)/t16-,18-/m0/s1
InChIKeyLWPIYEVWBRAQAR-WMZOPIPTSA-N
XLogP3.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.24
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)-2-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120624791
(2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 120617690
9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987690
(2S,4S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylpiperidine-4-carboxamide
CID 120618324
9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987689
(2S,4S)-N-[2-(3,4-difluorophenoxy)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631586
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
(2S,4S)-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120639700
(2S,4S)-2-methyl-N-[2-[3-(3-phenylpropoxy)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120631933

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide (CID 120626268) is (2S,4S)-2-methyl-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NCCOc2ccccc2-c2ccccc2)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide?
The InChIKey is LWPIYEVWBRAQAR-WMZOPIPTSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-15-18(11-12-22-16)21(24)23-13-14-25-20-10-6-5-9-19(20)17-7-3-2-4-8-17/h2-10,16,18,22H,11-15H2,1H3,(H,23,24)/t16-,18-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.24, 6 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-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 120626268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).