tert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-4-oxo-1H-1,8-naphthyridin-2-yl]piperidine-1-carboxylate

C27H33N3O4 — CID 171085746

IUPACtert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-4-oxo-1H-1,8-naphthyridin-2-yl]piperidine-1-carboxylate
SMILESCOc1cc(C)cc(C)c1-c1ccc2c(=O)cc(C3CCCN(C(=O)OC(C)(C)C)C3)[nH]c2n1
InChIInChI=1S/C27H33N3O4/c1-16-12-17(2)24(23(13-16)33-6)20-10-9-19-22(31)14-21(29-25(19)28-20)18-8-7-11-30(15-18)26(32)34-27(3,4)5/h9-10,12-14,18H,7-8,11,15H2,1-6H3,(H,28,29,31)
InChIKeyQCONSRROBPMPSO-UHFFFAOYSA-N
MW463.58 g/mol
LogP5.33
Rot. Bonds3

About tert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-4-oxo-1H-1,8-naphthyridin-2-yl]piperidine-1-carboxylate

tert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-4-oxo-1H-1,8-naphthyridin-2-yl]piperidine-1-carboxylate (PubChem CID 171085746) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is tert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-4-oxo-1H-1,8-naphthyridin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-4-oxo-1H-1,8-naphthyridin-2-yl]piperidine-1-carboxylate
PubChem CID171085746
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC Nametert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-4-oxo-1H-1,8-naphthyridin-2-yl]piperidine-1-carboxylate
SMILESCOc1cc(C)cc(C)c1-c1ccc2c(=O)cc(C3CCCN(C(=O)OC(C)(C)C)C3)[nH]c2n1
InChIInChI=1S/C27H33N3O4/c1-16-12-17(2)24(23(13-16)33-6)20-10-9-19-22(31)14-21(29-25(19)28-20)18-8-7-11-30(15-18)26(32)34-27(3,4)5/h9-10,12-14,18H,7-8,11,15H2,1-6H3,(H,28,29,31)
InChIKeyQCONSRROBPMPSO-UHFFFAOYSA-N
XLogP5.33
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-4-oxo-1H-1,8-naphthyridin-2-yl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 7-(2-methoxy-4,6-dimethylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,8-naphthyridine-4-carboxylate
CID 171085704
tert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-3-methyl-4-oxopyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carboxylate
CID 171085754
tert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate
CID 171085766
tert-butyl 4-hydroxy-3-[7-(2-methoxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]piperidine-1-carboxylate
CID 171085626
tert-butyl 4-[7-(2-methoxy-4,6-dimethylphenyl)-1,8-naphthyridin-2-yl]-2,3-dihydropyrrole-1-carboxylate
CID 171085455
tert-butyl 5-[7-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,8-naphthyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 171085808
tert-butyl 3-[6-[2-(methoxymethoxy)-4,6-dimethylphenyl]pyridazine-3-carbonyl]piperidine-1-carboxylate
CID 170226436
2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine
CID 171085659
tert-butyl 3-(5-bromo-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate
CID 163321047
tert-butyl (3R)-3-[7-(3-methoxypropyl)-4-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl]piperidine-1-carboxylate
CID 67536294
tert-butyl (3R)-3-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylate
CID 176562810
tert-butyl 3-(5-methyl-2H-indazol-3-yl)pyrrolidine-1-carboxylate
CID 167016878

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-4-oxo-1H-1,8-naphthyridin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-4-oxo-1H-1,8-naphthyridin-2-yl]piperidine-1-carboxylate (CID 171085746) is tert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-4-oxo-1H-1,8-naphthyridin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-4-oxo-1H-1,8-naphthyridin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-4-oxo-1H-1,8-naphthyridin-2-yl]piperidine-1-carboxylate is COc1cc(C)cc(C)c1-c1ccc2c(=O)cc(C3CCCN(C(=O)OC(C)(C)C)C3)[nH]c2n1.
What is the InChIKey of tert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-4-oxo-1H-1,8-naphthyridin-2-yl]piperidine-1-carboxylate?
The InChIKey is QCONSRROBPMPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-16-12-17(2)24(23(13-16)33-6)20-10-9-19-22(31)14-21(29-25(19)28-20)18-8-7-11-30(15-18)26(32)34-27(3,4)5/h9-10,12-14,18H,7-8,11,15H2,1-6H3,(H,28,29,31).
What are the key properties of tert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-4-oxo-1H-1,8-naphthyridin-2-yl]piperidine-1-carboxylate?
tert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-4-oxo-1H-1,8-naphthyridin-2-yl]piperidine-1-carboxylate has a molecular weight of 463.58 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[7-(2-methoxy-4,6-dimethylphenyl)-4-oxo-1H-1,8-naphthyridin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 171085746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).