(2S,4S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride

C16H25ClN2O2 — CID 120624791

IUPAC(2S,4S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1ccccc1OCCNC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12-5-3-4-6-15(12)20-10-9-18-16(19)14-7-8-17-13(2)11-14;/h3-6,13-14,17H,7-11H2,1-2H3,(H,18,19);1H/t13-,14-;/m0./s1
InChIKeyAGQRIUXFZFEXEW-IODNYQNNSA-N
MW312.84 g/mol
LogP2.30
Rot. Bonds5

About (2S,4S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120624791) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120624791
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name(2S,4S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1ccccc1OCCNC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12-5-3-4-6-15(12)20-10-9-18-16(19)14-7-8-17-13(2)11-14;/h3-6,13-14,17H,7-11H2,1-2H3,(H,18,19);1H/t13-,14-;/m0./s1
InChIKeyAGQRIUXFZFEXEW-IODNYQNNSA-N
XLogP2.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.30
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-phenylphenoxy)ethyl]piperidine-4-carboxamide
CID 120626268
(2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 120617690
N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide
CID 113099100
3-amino-N-[2-(2-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119742919
3-amino-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1-carboxamide
CID 119742923
(2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 120618998
N-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide;hydrochloride
CID 119317016
(2S,4S)-N-[2-(3,4-difluorophenoxy)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631586
(2S,4S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylpiperidine-4-carboxamide
CID 120618324
(2R,3S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120926955
(2S,4S)-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120639700
(2S,4S)-N-[2-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616696

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride (CID 120624791) is (2S,4S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride is Cc1ccccc1OCCNC(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is AGQRIUXFZFEXEW-IODNYQNNSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-12-5-3-4-6-15(12)20-10-9-18-16(19)14-7-8-17-13(2)11-14;/h3-6,13-14,17H,7-11H2,1-2H3,(H,18,19);1H/t13-,14-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.30, 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-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120624791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).