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

C16H24N2O2 — CID 108878383

IUPACN-[(2,3-dimethylphenoxy)methyl]-3-methylpiperidine-1-carboxamide
SMILESCc1cccc(OCNC(=O)N2CCCC(C)C2)c1C
InChIInChI=1S/C16H24N2O2/c1-12-6-5-9-18(10-12)16(19)17-11-20-15-8-4-7-13(2)14(15)3/h4,7-8,12H,5-6,9-11H2,1-3H3,(H,17,19)
InChIKeyMFQUKCNQHZMDHK-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.08
Rot. Bonds3

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

N-[(2,3-dimethylphenoxy)methyl]-3-methylpiperidine-1-carboxamide (PubChem CID 108878383) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(2,3-dimethylphenoxy)methyl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethylphenoxy)methyl]-3-methylpiperidine-1-carboxamide
PubChem CID108878383
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(2,3-dimethylphenoxy)methyl]-3-methylpiperidine-1-carboxamide
SMILESCc1cccc(OCNC(=O)N2CCCC(C)C2)c1C
InChIInChI=1S/C16H24N2O2/c1-12-6-5-9-18(10-12)16(19)17-11-20-15-8-4-7-13(2)14(15)3/h4,7-8,12H,5-6,9-11H2,1-3H3,(H,17,19)
InChIKeyMFQUKCNQHZMDHK-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-dimethylphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108878254
N-[(2,3-dimethylphenoxy)methyl]-2-methylpiperidine-1-carboxamide
CID 108878386
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
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 113232203
(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78783803
1-[2-(2,3-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43092118
ethyl 4-[(2,3-dimethylphenoxy)methylcarbamoylamino]piperidine-1-carboxylate
CID 108878485
2-(2,3-dimethylphenoxy)-1-[4-[2-(2,3-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108546513
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
N-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 60570421
2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55132312

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenoxy)methyl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(2,3-dimethylphenoxy)methyl]-3-methylpiperidine-1-carboxamide (CID 108878383) is N-[(2,3-dimethylphenoxy)methyl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(2,3-dimethylphenoxy)methyl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(2,3-dimethylphenoxy)methyl]-3-methylpiperidine-1-carboxamide is Cc1cccc(OCNC(=O)N2CCCC(C)C2)c1C.
What is the InChIKey of N-[(2,3-dimethylphenoxy)methyl]-3-methylpiperidine-1-carboxamide?
The InChIKey is MFQUKCNQHZMDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-6-5-9-18(10-12)16(19)17-11-20-15-8-4-7-13(2)14(15)3/h4,7-8,12H,5-6,9-11H2,1-3H3,(H,17,19).
What are the key properties of N-[(2,3-dimethylphenoxy)methyl]-3-methylpiperidine-1-carboxamide?
N-[(2,3-dimethylphenoxy)methyl]-3-methylpiperidine-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 3.08, 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]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 108878383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).