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Tert-butyl 4-(2-methyl-5-oxo-7,8-dihydro-1,6-naphthyridin-6-yl)piperidine-1-carboxylate

C19H27N3O3 — CID 151172826

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl 4-(2-methyl-5-oxo-7,8-dihydro-1,6-naphthyridin-6-yl)piperidine-1-carboxylate
SMILESCc1ccc2c(n1)CCN(C1CCN(C(=O)OC(C)(C)C)CC1)C2=O
InChIInChI=1S/C19H27N3O3/c1-13-5-6-15-16(20-13)9-12-22(17(15)23)14-7-10-21(11-8-14)18(24)25-19(2,3)4/h5-6,14H,7-12H2,1-4H3
InChIKeyNCQJMZZLRDALMD-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.79
Rot. Bonds1

About Tert-butyl 4-(2-methyl-5-oxo-7,8-dihydro-1,6-naphthyridin-6-yl)piperidine-1-carboxylate

Tert-butyl 4-(2-methyl-5-oxo-7,8-dihydro-1,6-naphthyridin-6-yl)piperidine-1-carboxylate (PubChem CID 151172826) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is tert-butyl 4-(2-methyl-5-oxo-7,8-dihydro-1,6-naphthyridin-6-yl)piperidine-1-carboxylate.

Molecular Properties

Compound NameTert-butyl 4-(2-methyl-5-oxo-7,8-dihydro-1,6-naphthyridin-6-yl)piperidine-1-carboxylate
PubChem CID151172826
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nametert-butyl 4-(2-methyl-5-oxo-7,8-dihydro-1,6-naphthyridin-6-yl)piperidine-1-carboxylate
SMILESCc1ccc2c(n1)CCN(C1CCN(C(=O)OC(C)(C)C)CC1)C2=O
InChIInChI=1S/C19H27N3O3/c1-13-5-6-15-16(20-13)9-12-22(17(15)23)14-7-10-21(11-8-14)18(24)25-19(2,3)4/h5-6,14H,7-12H2,1-4H3
InChIKeyNCQJMZZLRDALMD-UHFFFAOYSA-N
XLogP2.79
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl 4-(2-methyl-5-oxo-7,8-dihydro-1,6-naphthyridin-6-yl)piperidine-1-carboxylate?
The IUPAC name of Tert-butyl 4-(2-methyl-5-oxo-7,8-dihydro-1,6-naphthyridin-6-yl)piperidine-1-carboxylate (CID 151172826) is tert-butyl 4-(2-methyl-5-oxo-7,8-dihydro-1,6-naphthyridin-6-yl)piperidine-1-carboxylate.
What is the SMILES notation for Tert-butyl 4-(2-methyl-5-oxo-7,8-dihydro-1,6-naphthyridin-6-yl)piperidine-1-carboxylate?
The canonical SMILES for Tert-butyl 4-(2-methyl-5-oxo-7,8-dihydro-1,6-naphthyridin-6-yl)piperidine-1-carboxylate is Cc1ccc2c(n1)CCN(C1CCN(C(=O)OC(C)(C)C)CC1)C2=O.
What is the InChIKey of Tert-butyl 4-(2-methyl-5-oxo-7,8-dihydro-1,6-naphthyridin-6-yl)piperidine-1-carboxylate?
The InChIKey is NCQJMZZLRDALMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-5-6-15-16(20-13)9-12-22(17(15)23)14-7-10-21(11-8-14)18(24)25-19(2,3)4/h5-6,14H,7-12H2,1-4H3.
What are the key properties of Tert-butyl 4-(2-methyl-5-oxo-7,8-dihydro-1,6-naphthyridin-6-yl)piperidine-1-carboxylate?
Tert-butyl 4-(2-methyl-5-oxo-7,8-dihydro-1,6-naphthyridin-6-yl)piperidine-1-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl 4-(2-methyl-5-oxo-7,8-dihydro-1,6-naphthyridin-6-yl)piperidine-1-carboxylate is sourced from PubChem (CID 151172826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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