(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;hydrochloride

C19H24ClFN2O3 — CID 45370284

IUPAC(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
SMILESCCN1CCC2(CC1)OCCN2C(=O)c1oc2ccc(F)cc2c1C.Cl
InChIInChI=1S/C19H23FN2O3.ClH/c1-3-21-8-6-19(7-9-21)22(10-11-24-19)18(23)17-13(2)15-12-14(20)4-5-16(15)25-17;/h4-5,12H,3,6-11H2,1-2H3;1H
InChIKeyWCVBQRPUYNAVEM-UHFFFAOYSA-N
MW382.86 g/mol
LogP3.59
Rot. Bonds2

About (8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;hydrochloride

(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;hydrochloride (PubChem CID 45370284) has the molecular formula C19H24ClFN2O3 and a molecular weight of 382.86 g/mol. Its IUPAC name is (8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
PubChem CID45370284
Molecular FormulaC19H24ClFN2O3
Molecular Weight382.86 g/mol
Exact Mass382.15
IUPAC Name(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
SMILESCCN1CCC2(CC1)OCCN2C(=O)c1oc2ccc(F)cc2c1C.Cl
InChIInChI=1S/C19H23FN2O3.ClH/c1-3-21-8-6-19(7-9-21)22(10-11-24-19)18(23)17-13(2)15-12-14(20)4-5-16(15)25-17;/h4-5,12H,3,6-11H2,1-2H3;1H
InChIKeyWCVBQRPUYNAVEM-UHFFFAOYSA-N
XLogP3.59
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;hydrochloride?
The IUPAC name of (8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;hydrochloride (CID 45370284) is (8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;hydrochloride.
What is the SMILES notation for (8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;hydrochloride?
The canonical SMILES for (8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;hydrochloride is CCN1CCC2(CC1)OCCN2C(=O)c1oc2ccc(F)cc2c1C.Cl.
What is the InChIKey of (8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;hydrochloride?
The InChIKey is WCVBQRPUYNAVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3.ClH/c1-3-21-8-6-19(7-9-21)22(10-11-24-19)18(23)17-13(2)15-12-14(20)4-5-16(15)25-17;/h4-5,12H,3,6-11H2,1-2H3;1H.
What are the key properties of (8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;hydrochloride?
(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;hydrochloride has a molecular weight of 382.86 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 (8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone;hydrochloride is sourced from PubChem (CID 45370284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).