tert-butyl 6-fluoro-2-oxospiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate;ethane

C19H28FN3O3 — CID 144753701

IUPACtert-butyl 6-fluoro-2-oxospiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(F)cnc1NC2=O
InChIInChI=1S/C17H22FN3O3.C2H6/c1-16(2,3)24-15(23)21-6-4-17(5-7-21)9-11-8-12(18)10-19-13(11)20-14(17)22;1-2/h8,10H,4-7,9H2,1-3H3,(H,19,20,22);1-2H3
InChIKeyQUFNTHPNAJOUPM-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.76
Rot. Bonds

About tert-butyl 6-fluoro-2-oxospiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate;ethane

tert-butyl 6-fluoro-2-oxospiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate;ethane (PubChem CID 144753701) has the molecular formula C19H28FN3O3 and a molecular weight of 365.45 g/mol. Its IUPAC name is tert-butyl 6-fluoro-2-oxospiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 6-fluoro-2-oxospiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate;ethane
PubChem CID144753701
Molecular FormulaC19H28FN3O3
Molecular Weight365.45 g/mol
Exact Mass365.21
IUPAC Nametert-butyl 6-fluoro-2-oxospiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(F)cnc1NC2=O
InChIInChI=1S/C17H22FN3O3.C2H6/c1-16(2,3)24-15(23)21-6-4-17(5-7-21)9-11-8-12(18)10-19-13(11)20-14(17)22;1-2/h8,10H,4-7,9H2,1-3H3,(H,19,20,22);1-2H3
InChIKeyQUFNTHPNAJOUPM-UHFFFAOYSA-N
XLogP3.76
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 6-fluoro-2-oxospiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate;ethane with MolForge

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Related Compounds

tert-butyl 3-fluoro-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
CID 146485823
tert-butyl 2-oxo-6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate
CID 123201531
tert-butyl 4,5,6-trifluoro-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate
CID 142434181
6-bromo-N-tert-butyl-2-oxospiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxamide;6-bromo-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one;methane
CID 158490877
6-bromo-1'-(cyclopropanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one
CID 90440440
tert-butyl 3-methyl-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
CID 155388346
tert-butyl 5-methylsulfanyl-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate
CID 142433829
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
tert-butyl (3Z)-3-[(R)-tert-butylsulfinyl]imino-6-fluorospiro[1H-indene-2,4'-piperidine]-1'-carboxylate
CID 176654489
6-bromo-1'-(cyclopentanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one
CID 90410963
tert-butyl 6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-carboxylate
CID 69000949
tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 69455005

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-fluoro-2-oxospiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate;ethane?
The IUPAC name of tert-butyl 6-fluoro-2-oxospiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate;ethane (CID 144753701) is tert-butyl 6-fluoro-2-oxospiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate;ethane.
What is the SMILES notation for tert-butyl 6-fluoro-2-oxospiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate;ethane?
The canonical SMILES for tert-butyl 6-fluoro-2-oxospiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(F)cnc1NC2=O.
What is the InChIKey of tert-butyl 6-fluoro-2-oxospiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate;ethane?
The InChIKey is QUFNTHPNAJOUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3.C2H6/c1-16(2,3)24-15(23)21-6-4-17(5-7-21)9-11-8-12(18)10-19-13(11)20-14(17)22;1-2/h8,10H,4-7,9H2,1-3H3,(H,19,20,22);1-2H3.
What are the key properties of tert-butyl 6-fluoro-2-oxospiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate;ethane?
tert-butyl 6-fluoro-2-oxospiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate;ethane has a molecular weight of 365.45 g/mol, XLogP of 3.76, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-fluoro-2-oxospiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate;ethane is sourced from PubChem (CID 144753701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).