4-[(6-methyl-2-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide

C21H27N3O5 — CID 71799611

IUPAC4-[(6-methyl-2-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(Oc3cccc(C)n3)CC2)cc(OC)c1OC
InChIInChI=1S/C21H27N3O5/c1-14-6-5-7-19(22-14)29-16-8-10-24(11-9-16)21(25)23-15-12-17(26-2)20(28-4)18(13-15)27-3/h5-7,12-13,16H,8-11H2,1-4H3,(H,23,25)
InChIKeyFEAJTAVQCFFFQR-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.49
Rot. Bonds6

About 4-[(6-methyl-2-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide

4-[(6-methyl-2-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide (PubChem CID 71799611) has the molecular formula C21H27N3O5 and a molecular weight of 401.46 g/mol. Its IUPAC name is 4-[(6-methyl-2-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(6-methyl-2-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
PubChem CID71799611
Molecular FormulaC21H27N3O5
Molecular Weight401.46 g/mol
Exact Mass401.20
IUPAC Name4-[(6-methyl-2-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(Oc3cccc(C)n3)CC2)cc(OC)c1OC
InChIInChI=1S/C21H27N3O5/c1-14-6-5-7-19(22-14)29-16-8-10-24(11-9-16)21(25)23-15-12-17(26-2)20(28-4)18(13-15)27-3/h5-7,12-13,16H,8-11H2,1-4H3,(H,23,25)
InChIKeyFEAJTAVQCFFFQR-UHFFFAOYSA-N
XLogP3.49
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(6-methyl-2-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)piperidine-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

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-2-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(6-methyl-2-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide (CID 71799611) is 4-[(6-methyl-2-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(6-methyl-2-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(6-methyl-2-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide is COc1cc(NC(=O)N2CCC(Oc3cccc(C)n3)CC2)cc(OC)c1OC.
What is the InChIKey of 4-[(6-methyl-2-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is FEAJTAVQCFFFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5/c1-14-6-5-7-19(22-14)29-16-8-10-24(11-9-16)21(25)23-15-12-17(26-2)20(28-4)18(13-15)27-3/h5-7,12-13,16H,8-11H2,1-4H3,(H,23,25).
What are the key properties of 4-[(6-methyl-2-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
4-[(6-methyl-2-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 401.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-2-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 71799611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).