tert-butyl 4-[6-[(2-methoxy-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate

C25H32N2O6 — CID 163253222

IUPACtert-butyl 4-[6-[(2-methoxy-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate
SMILESCOC(=O)c1ccc(COc2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c(OC)c1
InChIInChI=1S/C25H32N2O6/c1-25(2,3)33-24(29)27-13-11-17(12-14-27)20-7-6-8-22(26-20)32-16-19-10-9-18(23(28)31-5)15-21(19)30-4/h6-10,15,17H,11-14,16H2,1-5H3
InChIKeyQMBRGNFVTIIRHE-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.57
Rot. Bonds6

About tert-butyl 4-[6-[(2-methoxy-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate

tert-butyl 4-[6-[(2-methoxy-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate (PubChem CID 163253222) has the molecular formula C25H32N2O6 and a molecular weight of 456.54 g/mol. Its IUPAC name is tert-butyl 4-[6-[(2-methoxy-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-[(2-methoxy-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate
PubChem CID163253222
Molecular FormulaC25H32N2O6
Molecular Weight456.54 g/mol
Exact Mass456.23
IUPAC Nametert-butyl 4-[6-[(2-methoxy-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate
SMILESCOC(=O)c1ccc(COc2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c(OC)c1
InChIInChI=1S/C25H32N2O6/c1-25(2,3)33-24(29)27-13-11-17(12-14-27)20-7-6-8-22(26-20)32-16-19-10-9-18(23(28)31-5)15-21(19)30-4/h6-10,15,17H,11-14,16H2,1-5H3
InChIKeyQMBRGNFVTIIRHE-UHFFFAOYSA-N
XLogP4.57
TPSA87.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[6-[(2-methoxy-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate 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 tert-butyl 4-[6-[(2-methoxy-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-[(2-methoxy-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate (CID 163253222) is tert-butyl 4-[6-[(2-methoxy-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-[(2-methoxy-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-[(2-methoxy-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate is COC(=O)c1ccc(COc2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c(OC)c1.
What is the InChIKey of tert-butyl 4-[6-[(2-methoxy-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate?
The InChIKey is QMBRGNFVTIIRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O6/c1-25(2,3)33-24(29)27-13-11-17(12-14-27)20-7-6-8-22(26-20)32-16-19-10-9-18(23(28)31-5)15-21(19)30-4/h6-10,15,17H,11-14,16H2,1-5H3.
What are the key properties of tert-butyl 4-[6-[(2-methoxy-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate?
tert-butyl 4-[6-[(2-methoxy-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate has a molecular weight of 456.54 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-[(2-methoxy-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 163253222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).