tert-butyl (2R)-2-(6,7-dimethoxyquinolin-4-yl)-3-piperidin-4-ylpiperidine-1-carboxylate

C26H37N3O4 — CID 175689096

IUPACtert-butyl (2R)-2-(6,7-dimethoxyquinolin-4-yl)-3-piperidin-4-ylpiperidine-1-carboxylate
SMILESCOc1cc2nccc([C@H]3C(C4CCNCC4)CCCN3C(=O)OC(C)(C)C)c2cc1OC
InChIInChI=1S/C26H37N3O4/c1-26(2,3)33-25(30)29-14-6-7-18(17-8-11-27-12-9-17)24(29)19-10-13-28-21-16-23(32-5)22(31-4)15-20(19)21/h10,13,15-18,24,27H,6-9,11-12,14H2,1-5H3/t18?,24-/m1/s1
InChIKeyQJXACJDTLBWTBD-VCUSLETLSA-N
MW455.60 g/mol
LogP4.94
Rot. Bonds4

About tert-butyl (2R)-2-(6,7-dimethoxyquinolin-4-yl)-3-piperidin-4-ylpiperidine-1-carboxylate

tert-butyl (2R)-2-(6,7-dimethoxyquinolin-4-yl)-3-piperidin-4-ylpiperidine-1-carboxylate (PubChem CID 175689096) has the molecular formula C26H37N3O4 and a molecular weight of 455.60 g/mol. Its IUPAC name is tert-butyl (2R)-2-(6,7-dimethoxyquinolin-4-yl)-3-piperidin-4-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(6,7-dimethoxyquinolin-4-yl)-3-piperidin-4-ylpiperidine-1-carboxylate
PubChem CID175689096
Molecular FormulaC26H37N3O4
Molecular Weight455.60 g/mol
Exact Mass455.28
IUPAC Nametert-butyl (2R)-2-(6,7-dimethoxyquinolin-4-yl)-3-piperidin-4-ylpiperidine-1-carboxylate
SMILESCOc1cc2nccc([C@H]3C(C4CCNCC4)CCCN3C(=O)OC(C)(C)C)c2cc1OC
InChIInChI=1S/C26H37N3O4/c1-26(2,3)33-25(30)29-14-6-7-18(17-8-11-27-12-9-17)24(29)19-10-13-28-21-16-23(32-5)22(31-4)15-20(19)21/h10,13,15-18,24,27H,6-9,11-12,14H2,1-5H3/t18?,24-/m1/s1
InChIKeyQJXACJDTLBWTBD-VCUSLETLSA-N
XLogP4.94
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(6,7-dimethoxyquinolin-4-yl)-3-piperidin-4-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(6,7-dimethoxyquinolin-4-yl)-3-piperidin-4-ylpiperidine-1-carboxylate (CID 175689096) is tert-butyl (2R)-2-(6,7-dimethoxyquinolin-4-yl)-3-piperidin-4-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(6,7-dimethoxyquinolin-4-yl)-3-piperidin-4-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(6,7-dimethoxyquinolin-4-yl)-3-piperidin-4-ylpiperidine-1-carboxylate is COc1cc2nccc([C@H]3C(C4CCNCC4)CCCN3C(=O)OC(C)(C)C)c2cc1OC.
What is the InChIKey of tert-butyl (2R)-2-(6,7-dimethoxyquinolin-4-yl)-3-piperidin-4-ylpiperidine-1-carboxylate?
The InChIKey is QJXACJDTLBWTBD-VCUSLETLSA-N. The full InChI is InChI=1S/C26H37N3O4/c1-26(2,3)33-25(30)29-14-6-7-18(17-8-11-27-12-9-17)24(29)19-10-13-28-21-16-23(32-5)22(31-4)15-20(19)21/h10,13,15-18,24,27H,6-9,11-12,14H2,1-5H3/t18?,24-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(6,7-dimethoxyquinolin-4-yl)-3-piperidin-4-ylpiperidine-1-carboxylate?
tert-butyl (2R)-2-(6,7-dimethoxyquinolin-4-yl)-3-piperidin-4-ylpiperidine-1-carboxylate has a molecular weight of 455.60 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(6,7-dimethoxyquinolin-4-yl)-3-piperidin-4-ylpiperidine-1-carboxylate is sourced from PubChem (CID 175689096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).