8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride

C19H28ClFN2O3 — CID 3077307

IUPAC8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCCCN1C(=O)OC2(CCN(CCc3ccc(F)cc3)CC2)C1(C)O.Cl
InChIInChI=1S/C19H27FN2O3.ClH/c1-3-11-22-17(23)25-19(18(22,2)24)9-13-21(14-10-19)12-8-15-4-6-16(20)7-5-15;/h4-7,24H,3,8-14H2,1-2H3;1H
InChIKeyXRYVPDMYYFXOHX-UHFFFAOYSA-N
MW386.90 g/mol
LogP3.20
Rot. Bonds5

About 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride

8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (PubChem CID 3077307) has the molecular formula C19H28ClFN2O3 and a molecular weight of 386.90 g/mol. Its IUPAC name is 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.

Molecular Properties

Compound Name8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
PubChem CID3077307
Molecular FormulaC19H28ClFN2O3
Molecular Weight386.90 g/mol
Exact Mass386.18
IUPAC Name8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCCCN1C(=O)OC2(CCN(CCc3ccc(F)cc3)CC2)C1(C)O.Cl
InChIInChI=1S/C19H27FN2O3.ClH/c1-3-11-22-17(23)25-19(18(22,2)24)9-13-21(14-10-19)12-8-15-4-6-16(20)7-5-15;/h4-7,24H,3,8-14H2,1-2H3;1H
InChIKeyXRYVPDMYYFXOHX-UHFFFAOYSA-N
XLogP3.20
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The IUPAC name of 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (CID 3077307) is 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.
What is the SMILES notation for 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The canonical SMILES for 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is CCCN1C(=O)OC2(CCN(CCc3ccc(F)cc3)CC2)C1(C)O.Cl.
What is the InChIKey of 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The InChIKey is XRYVPDMYYFXOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3.ClH/c1-3-11-22-17(23)25-19(18(22,2)24)9-13-21(14-10-19)12-8-15-4-6-16(20)7-5-15;/h4-7,24H,3,8-14H2,1-2H3;1H.
What are the key properties of 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride has a molecular weight of 386.90 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is sourced from PubChem (CID 3077307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).