N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide

C16H24N2O2 — CID 106739192

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
SMILESCOCc1ccccc1CNC(=O)C1CCNC(C)C1
InChIInChI=1S/C16H24N2O2/c1-12-9-13(7-8-17-12)16(19)18-10-14-5-3-4-6-15(14)11-20-2/h3-6,12-13,17H,7-11H2,1-2H3,(H,18,19)
InChIKeyMRPLIGGYPMICGZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.84
Rot. Bonds5

About N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide

N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide (PubChem CID 106739192) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
PubChem CID106739192
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
SMILESCOCc1ccccc1CNC(=O)C1CCNC(C)C1
InChIInChI=1S/C16H24N2O2/c1-12-9-13(7-8-17-12)16(19)18-10-14-5-3-4-6-15(14)11-20-2/h3-6,12-13,17H,7-11H2,1-2H3,(H,18,19)
InChIKeyMRPLIGGYPMICGZ-UHFFFAOYSA-N
XLogP1.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
(2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120622248
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005428
(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120617128
(2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631658
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60740965
(2S)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 93359111
(2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 120631457
(2S,4S)-2-methyl-N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120631432
(2S,4S)-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120626375

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide (CID 106739192) is N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide is COCc1ccccc1CNC(=O)C1CCNC(C)C1.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is MRPLIGGYPMICGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-9-13(7-8-17-12)16(19)18-10-14-5-3-4-6-15(14)11-20-2/h3-6,12-13,17H,7-11H2,1-2H3,(H,18,19).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide?
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106739192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).