tert-butyl 4-(6-fluoro-2,3-dihydro-1-benzofuran-7-carbonyl)piperidine-1-carboxylate

C19H24FNO4 — CID 118368252

IUPACtert-butyl 4-(6-fluoro-2,3-dihydro-1-benzofuran-7-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)c2c(F)ccc3c2OCC3)CC1
InChIInChI=1S/C19H24FNO4/c1-19(2,3)25-18(23)21-9-6-12(7-10-21)16(22)15-14(20)5-4-13-8-11-24-17(13)15/h4-5,12H,6-11H2,1-3H3
InChIKeyHWJNWAPQKZFLIN-UHFFFAOYSA-N
MW349.40 g/mol
LogP3.59
Rot. Bonds2

About tert-butyl 4-(6-fluoro-2,3-dihydro-1-benzofuran-7-carbonyl)piperidine-1-carboxylate

tert-butyl 4-(6-fluoro-2,3-dihydro-1-benzofuran-7-carbonyl)piperidine-1-carboxylate (PubChem CID 118368252) has the molecular formula C19H24FNO4 and a molecular weight of 349.40 g/mol. Its IUPAC name is tert-butyl 4-(6-fluoro-2,3-dihydro-1-benzofuran-7-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-fluoro-2,3-dihydro-1-benzofuran-7-carbonyl)piperidine-1-carboxylate
PubChem CID118368252
Molecular FormulaC19H24FNO4
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Nametert-butyl 4-(6-fluoro-2,3-dihydro-1-benzofuran-7-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)c2c(F)ccc3c2OCC3)CC1
InChIInChI=1S/C19H24FNO4/c1-19(2,3)25-18(23)21-9-6-12(7-10-21)16(22)15-14(20)5-4-13-8-11-24-17(13)15/h4-5,12H,6-11H2,1-3H3
InChIKeyHWJNWAPQKZFLIN-UHFFFAOYSA-N
XLogP3.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(2,6-difluorobenzoyl)pyrrolidine-1-carboxylate
CID 107091983
tert-butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate
CID 10519988
tert-butyl 4-(1-oxo-3H-2-benzofuran-5-carbonyl)piperidine-1-carboxylate
CID 162407259
tert-butyl 4-(5-chloro-2-methylbenzoyl)piperidine-1-carboxylate
CID 58539966
tert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 9209463
tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate
CID 58817684
tert-butyl 4-[2-fluoro-3-(trifluoromethyl)benzoyl]piperidine-1-carboxylate
CID 58817540
tert-butyl 4-[5-chloro-2-(difluoromethyl)benzoyl]piperidine-1-carboxylate
CID 58539768
tert-butyl 4-(1,3-dihydroisoindole-2-carbonyl)piperidine-1-carboxylate
CID 169094693
tert-butyl 4-[2-amino-2-(3-bromo-2,4-difluorophenyl)iminoacetyl]piperidine-1-carboxylate
CID 126593003
tert-butyl 4-(2,3-difluoro-6-hydroxyphenyl)piperidine-1-carboxylate
CID 58149951
tert-butyl 4-(2,3-difluoro-6-methylphenyl)piperidine-1-carboxylate
CID 58149940

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-fluoro-2,3-dihydro-1-benzofuran-7-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-fluoro-2,3-dihydro-1-benzofuran-7-carbonyl)piperidine-1-carboxylate (CID 118368252) is tert-butyl 4-(6-fluoro-2,3-dihydro-1-benzofuran-7-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-fluoro-2,3-dihydro-1-benzofuran-7-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-fluoro-2,3-dihydro-1-benzofuran-7-carbonyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)c2c(F)ccc3c2OCC3)CC1.
What is the InChIKey of tert-butyl 4-(6-fluoro-2,3-dihydro-1-benzofuran-7-carbonyl)piperidine-1-carboxylate?
The InChIKey is HWJNWAPQKZFLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO4/c1-19(2,3)25-18(23)21-9-6-12(7-10-21)16(22)15-14(20)5-4-13-8-11-24-17(13)15/h4-5,12H,6-11H2,1-3H3.
What are the key properties of tert-butyl 4-(6-fluoro-2,3-dihydro-1-benzofuran-7-carbonyl)piperidine-1-carboxylate?
tert-butyl 4-(6-fluoro-2,3-dihydro-1-benzofuran-7-carbonyl)piperidine-1-carboxylate has a molecular weight of 349.40 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-fluoro-2,3-dihydro-1-benzofuran-7-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 118368252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).