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

C18H28N2O2 — CID 120633424

IUPACN-[2-(2,6-dimethylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCCc2c(C)cccc2C)CCNCC1
InChIInChI=1S/C18H28N2O2/c1-14-5-4-6-15(2)16(14)7-10-20-17(21)18(13-22-3)8-11-19-12-9-18/h4-6,19H,7-13H2,1-3H3,(H,20,21)
InChIKeyGZNJBVUOCBOXDA-UHFFFAOYSA-N
MW304.43 g/mol
LogP1.98
Rot. Bonds6

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

N-[2-(2,6-dimethylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120633424) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120633424
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-(2,6-dimethylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCCc2c(C)cccc2C)CCNCC1
InChIInChI=1S/C18H28N2O2/c1-14-5-4-6-15(2)16(14)7-10-20-17(21)18(13-22-3)8-11-19-12-9-18/h4-6,19H,7-13H2,1-3H3,(H,20,21)
InChIKeyGZNJBVUOCBOXDA-UHFFFAOYSA-N
XLogP1.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120625301
N-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120623806
4-(methoxymethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120633664
N-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120618096
4-(methoxymethyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618108
4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617692
4-(methoxymethyl)-N-(5-phenylpentyl)piperidine-4-carboxamide;hydrochloride
CID 120630674
4-(methoxymethyl)-N-[2-(2-nitrophenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120635947
4-(methoxymethyl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
CID 106391030
N-[2-(3,5-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120628206
N-(2-anilino-2-oxoethyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624225
N-(3-anilino-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120632986

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120633424) is N-[2-(2,6-dimethylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)NCCc2c(C)cccc2C)CCNCC1.
What is the InChIKey of N-[2-(2,6-dimethylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is GZNJBVUOCBOXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14-5-4-6-15(2)16(14)7-10-20-17(21)18(13-22-3)8-11-19-12-9-18/h4-6,19H,7-13H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(2,6-dimethylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[2-(2,6-dimethylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120633424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).