N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide

C21H27N3O3 — CID 120647001

IUPACN-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)CCNCC1
InChIInChI=1S/C21H27N3O3/c1-15-5-4-6-18(16(15)2)27-19-8-7-17(13-23-19)24-20(25)21(14-26-3)9-11-22-12-10-21/h4-8,13,22H,9-12,14H2,1-3H3,(H,24,25)
InChIKeyRJZVOCKNNMBNRV-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.45
Rot. Bonds6

About N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120647001) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120647001
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)CCNCC1
InChIInChI=1S/C21H27N3O3/c1-15-5-4-6-18(16(15)2)27-19-8-7-17(13-23-19)24-20(25)21(14-26-3)9-11-22-12-10-21/h4-8,13,22H,9-12,14H2,1-3H3,(H,24,25)
InChIKeyRJZVOCKNNMBNRV-UHFFFAOYSA-N
XLogP3.45
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-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-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888495
4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888503
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide
CID 119888472
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
(2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide
CID 67235654
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942250
4-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120617162
4-(methoxymethyl)-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120640895
N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617171
4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120638200
4-(methoxymethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 120618122
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119888485

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120647001) is N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)CCNCC1.
What is the InChIKey of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is RJZVOCKNNMBNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-5-4-6-18(16(15)2)27-19-8-7-17(13-23-19)24-20(25)21(14-26-3)9-11-22-12-10-21/h4-8,13,22H,9-12,14H2,1-3H3,(H,24,25).
What are the key properties of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120647001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).