1-O-tert-butyl 4-O-[(6-methoxy-3-pyridinyl)methyl] 4-ethylpiperidine-1,4-dicarboxylate

C20H30N2O5 — CID 175395425

IUPAC1-O-tert-butyl 4-O-[(6-methoxy-3-pyridinyl)methyl] 4-ethylpiperidine-1,4-dicarboxylate
SMILESCCC1(C(=O)OCc2ccc(OC)nc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H30N2O5/c1-6-20(9-11-22(12-10-20)18(24)27-19(2,3)4)17(23)26-14-15-7-8-16(25-5)21-13-15/h7-8,13H,6,9-12,14H2,1-5H3
InChIKeyGNWQPUNYWQLXQP-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.56
Rot. Bonds5

About 1-O-tert-butyl 4-O-[(6-methoxy-3-pyridinyl)methyl] 4-ethylpiperidine-1,4-dicarboxylate

1-O-tert-butyl 4-O-[(6-methoxy-3-pyridinyl)methyl] 4-ethylpiperidine-1,4-dicarboxylate (PubChem CID 175395425) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-[(6-methoxy-3-pyridinyl)methyl] 4-ethylpiperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-[(6-methoxy-3-pyridinyl)methyl] 4-ethylpiperidine-1,4-dicarboxylate
PubChem CID175395425
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Name1-O-tert-butyl 4-O-[(6-methoxy-3-pyridinyl)methyl] 4-ethylpiperidine-1,4-dicarboxylate
SMILESCCC1(C(=O)OCc2ccc(OC)nc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H30N2O5/c1-6-20(9-11-22(12-10-20)18(24)27-19(2,3)4)17(23)26-14-15-7-8-16(25-5)21-13-15/h7-8,13H,6,9-12,14H2,1-5H3
InChIKeyGNWQPUNYWQLXQP-UHFFFAOYSA-N
XLogP3.56
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-O-tert-butyl 4-O-[(6-methoxy-3-pyridinyl)methyl] 4-ethylpiperidine-1,4-dicarboxylate with MolForge

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Related Compounds

tert-butyl 4-hydroxy-4-[3-(6-methoxy-3-pyridinyl)-3-oxoprop-1-ynyl]piperidine-1-carboxylate
CID 145464421
tert-butyl (3S)-3-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-1-carboxylate;sulfane
CID 161346804
tert-butyl 4-[(5-ethyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 134497281
2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate
CID 90068547
1-O-tert-butyl 4-O-methylsulfonyl 4-ethylpiperidine-1,4-dicarboxylate
CID 87223860
1-O-tert-butyl 4-O-ethyl 4-(2,2,2-trifluoroethyl)piperidine-1,4-dicarboxylate
CID 59527747
1-O-tert-butyl 4-O-methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-1,4-dicarboxylate
CID 68992342
1-O-tert-butyl 4-O-ethyl 4-(pyridin-2-ylmethyl)piperidine-1,4-dicarboxylate
CID 162726373
1-O-tert-butyl 3-O-(chloromethyl) 3-ethylpyrrolidine-1,3-dicarboxylate
CID 165439576
1-O-tert-butyl 4-O-methyl 4-benzylpiperidine-1,4-dicarboxylate
CID 20664732
4-O-benzyl 1-O-tert-butyl 4-formyloxypiperidine-1,4-dicarboxylate
CID 174582044
tert-butyl 4-fluoro-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-1-carboxylate
CID 163385767

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-[(6-methoxy-3-pyridinyl)methyl] 4-ethylpiperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 4-O-[(6-methoxy-3-pyridinyl)methyl] 4-ethylpiperidine-1,4-dicarboxylate (CID 175395425) is 1-O-tert-butyl 4-O-[(6-methoxy-3-pyridinyl)methyl] 4-ethylpiperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 4-O-[(6-methoxy-3-pyridinyl)methyl] 4-ethylpiperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 4-O-[(6-methoxy-3-pyridinyl)methyl] 4-ethylpiperidine-1,4-dicarboxylate is CCC1(C(=O)OCc2ccc(OC)nc2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 1-O-tert-butyl 4-O-[(6-methoxy-3-pyridinyl)methyl] 4-ethylpiperidine-1,4-dicarboxylate?
The InChIKey is GNWQPUNYWQLXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-6-20(9-11-22(12-10-20)18(24)27-19(2,3)4)17(23)26-14-15-7-8-16(25-5)21-13-15/h7-8,13H,6,9-12,14H2,1-5H3.
What are the key properties of 1-O-tert-butyl 4-O-[(6-methoxy-3-pyridinyl)methyl] 4-ethylpiperidine-1,4-dicarboxylate?
1-O-tert-butyl 4-O-[(6-methoxy-3-pyridinyl)methyl] 4-ethylpiperidine-1,4-dicarboxylate has a molecular weight of 378.47 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 4-O-[(6-methoxy-3-pyridinyl)methyl] 4-ethylpiperidine-1,4-dicarboxylate is sourced from PubChem (CID 175395425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).