N-[(2,3-dimethylphenoxy)methyl]-2-methylpiperidine-1-carboxamide

C16H24N2O2 — CID 108878386

IUPACN-[(2,3-dimethylphenoxy)methyl]-2-methylpiperidine-1-carboxamide
SMILESCc1cccc(OCNC(=O)N2CCCCC2C)c1C
InChIInChI=1S/C16H24N2O2/c1-12-7-6-9-15(14(12)3)20-11-17-16(19)18-10-5-4-8-13(18)2/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,17,19)
InChIKeyIHXMENUKPAPENQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.22
Rot. Bonds3

About N-[(2,3-dimethylphenoxy)methyl]-2-methylpiperidine-1-carboxamide

N-[(2,3-dimethylphenoxy)methyl]-2-methylpiperidine-1-carboxamide (PubChem CID 108878386) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(2,3-dimethylphenoxy)methyl]-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethylphenoxy)methyl]-2-methylpiperidine-1-carboxamide
PubChem CID108878386
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(2,3-dimethylphenoxy)methyl]-2-methylpiperidine-1-carboxamide
SMILESCc1cccc(OCNC(=O)N2CCCCC2C)c1C
InChIInChI=1S/C16H24N2O2/c1-12-7-6-9-15(14(12)3)20-11-17-16(19)18-10-5-4-8-13(18)2/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,17,19)
InChIKeyIHXMENUKPAPENQ-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(2,3-dimethylphenoxy)methyl]-2-methylpiperidine-1-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

N-[(2,3-dimethylphenoxy)methyl]-3-methylpiperidine-1-carboxamide
CID 108878383
N-[(2-tert-butyl-4-methylphenoxy)methyl]-2-methylpiperidine-1-carboxamide
CID 108877640
N-[(2,3-dimethylphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108878254
N-[(2-ethoxyphenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 47376286
2-methyl-N-(2-methylphenyl)piperidine-1-carboxamide
CID 6460442
4-(2-aminoethyl)-N-[(2,3-dimethylphenoxy)methyl]piperazine-1-carboxamide
CID 108878343
N-[(2,3-dimethylphenoxy)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108878483
N-(cyclohexylmethyl)-2-methylpiperidine-1-carboxamide
CID 108902901
2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 47328498
N-[(2-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 108897902
2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid
CID 61186973
ethyl 4-[(2,3-dimethylphenoxy)methylcarbamoylamino]piperidine-1-carboxylate
CID 108878485

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenoxy)methyl]-2-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(2,3-dimethylphenoxy)methyl]-2-methylpiperidine-1-carboxamide (CID 108878386) is N-[(2,3-dimethylphenoxy)methyl]-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(2,3-dimethylphenoxy)methyl]-2-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(2,3-dimethylphenoxy)methyl]-2-methylpiperidine-1-carboxamide is Cc1cccc(OCNC(=O)N2CCCCC2C)c1C.
What is the InChIKey of N-[(2,3-dimethylphenoxy)methyl]-2-methylpiperidine-1-carboxamide?
The InChIKey is IHXMENUKPAPENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-7-6-9-15(14(12)3)20-11-17-16(19)18-10-5-4-8-13(18)2/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,17,19).
What are the key properties of N-[(2,3-dimethylphenoxy)methyl]-2-methylpiperidine-1-carboxamide?
N-[(2,3-dimethylphenoxy)methyl]-2-methylpiperidine-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenoxy)methyl]-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 108878386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).