N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-2-carboxamide

C16H24N2O2 — CID 107067835

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-2-carboxamide
SMILESCOCc1cccc(CNC(=O)C2NCCCC2C)c1
InChIInChI=1S/C16H24N2O2/c1-12-5-4-8-17-15(12)16(19)18-10-13-6-3-7-14(9-13)11-20-2/h3,6-7,9,12,15,17H,4-5,8,10-11H2,1-2H3,(H,18,19)
InChIKeyAJZKNELORNZIHF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.84
Rot. Bonds5

About N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-2-carboxamide

N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-2-carboxamide (PubChem CID 107067835) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-2-carboxamide
PubChem CID107067835
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-2-carboxamide
SMILESCOCc1cccc(CNC(=O)C2NCCCC2C)c1
InChIInChI=1S/C16H24N2O2/c1-12-5-4-8-17-15(12)16(19)18-10-13-6-3-7-14(9-13)11-20-2/h3,6-7,9,12,15,17H,4-5,8,10-11H2,1-2H3,(H,18,19)
InChIKeyAJZKNELORNZIHF-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

Analyze N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
CID 62339447
trans-methyl (1S,2S)-2-[[3-(methoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylate
CID 99816213
4-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 114428577
N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119286438
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119
N-(3-ethylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339279
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxamide
CID 102779392
5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 107068397
N-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine
CID 54896550
(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119288736
(2R,3S)-2-methyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120923523
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxamide
CID 107068180

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-2-carboxamide (CID 107067835) is N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-2-carboxamide is COCc1cccc(CNC(=O)C2NCCCC2C)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-2-carboxamide?
The InChIKey is AJZKNELORNZIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-5-4-8-17-15(12)16(19)18-10-13-6-3-7-14(9-13)11-20-2/h3,6-7,9,12,15,17H,4-5,8,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-2-carboxamide?
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-2-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-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107067835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).