N-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide

C18H28N2O3 — CID 120623806

IUPACN-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCCOc2c(C)cccc2C)CCNCC1
InChIInChI=1S/C18H28N2O3/c1-14-5-4-6-15(2)16(14)23-12-11-20-17(21)18(13-22-3)7-9-19-10-8-18/h4-6,19H,7-13H2,1-3H3,(H,20,21)
InChIKeyMARQDXVEZFGFGN-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.81
Rot. Bonds7

About N-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120623806) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120623806
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCCOc2c(C)cccc2C)CCNCC1
InChIInChI=1S/C18H28N2O3/c1-14-5-4-6-15(2)16(14)23-12-11-20-17(21)18(13-22-3)7-9-19-10-8-18/h4-6,19H,7-13H2,1-3H3,(H,20,21)
InChIKeyMARQDXVEZFGFGN-UHFFFAOYSA-N
XLogP1.81
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dimethylphenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119734944
4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617692
N-[2-(2,6-dimethylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120633424
N-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623811
N-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120631171
4-(methoxymethyl)-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide
CID 120626270
4-(methoxymethyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-4-carboxamide
CID 120632708
4-(methoxymethyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618108
N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120625301
N-(2-ethoxyethyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620372
4-(methoxymethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120633664
4-(aminomethyl)-N-[2-(2,6-dimethylphenoxy)ethyl]oxane-4-carboxamide;hydrochloride
CID 120925815

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120623806) is N-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)NCCOc2c(C)cccc2C)CCNCC1.
What is the InChIKey of N-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is MARQDXVEZFGFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14-5-4-6-15(2)16(14)23-12-11-20-17(21)18(13-22-3)7-9-19-10-8-18/h4-6,19H,7-13H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120623806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).