4-(2-fluorophenyl)-2-(3-hydroxypropyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C25H31FN2O3 — CID 118567553

IUPAC4-(2-fluorophenyl)-2-(3-hydroxypropyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1C(CCCO)OC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1F
InChIInChI=1S/C25H31FN2O3/c26-21-9-4-5-10-22(21)28-19-25(31-23(24(28)30)11-6-18-29)13-16-27(17-14-25)15-12-20-7-2-1-3-8-20/h1-5,7-10,23,29H,6,11-19H2
InChIKeyWGZPFOBTGSDZGA-UHFFFAOYSA-N
MW426.53 g/mol
LogP3.41
Rot. Bonds7

About 4-(2-fluorophenyl)-2-(3-hydroxypropyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-(2-fluorophenyl)-2-(3-hydroxypropyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118567553) has the molecular formula C25H31FN2O3 and a molecular weight of 426.53 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-(3-hydroxypropyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-(3-hydroxypropyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118567553
Molecular FormulaC25H31FN2O3
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name4-(2-fluorophenyl)-2-(3-hydroxypropyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1C(CCCO)OC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1F
InChIInChI=1S/C25H31FN2O3/c26-21-9-4-5-10-22(21)28-19-25(31-23(24(28)30)11-6-18-29)13-16-27(17-14-25)15-12-20-7-2-1-3-8-20/h1-5,7-10,23,29H,6,11-19H2
InChIKeyWGZPFOBTGSDZGA-UHFFFAOYSA-N
XLogP3.41
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyethyl)-4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561038
2-(hydroxymethyl)-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562362
4-(2-chlorophenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567608
4-(2-fluorophenyl)-9-[2-(6-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562563
2-methyl-4,9-bis(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562325
9-[2-(3-fluorophenyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562440
4-(2-fluorophenyl)-2-methyl-9-[2-(5-nitro-2-pyridinyl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562335
2-methyl-9-[2-(4-methylphenyl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155632216
9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
CID 126744952
4-(4-fluorophenyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562454
2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 154663471
methyl 4-[2-(2-methyl-3-oxo-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]benzoate;hydrochloride
CID 126744804

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-(3-hydroxypropyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(2-fluorophenyl)-2-(3-hydroxypropyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118567553) is 4-(2-fluorophenyl)-2-(3-hydroxypropyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(2-fluorophenyl)-2-(3-hydroxypropyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(2-fluorophenyl)-2-(3-hydroxypropyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1C(CCCO)OC2(CCN(CCc3ccccc3)CC2)CN1c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-2-(3-hydroxypropyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is WGZPFOBTGSDZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O3/c26-21-9-4-5-10-22(21)28-19-25(31-23(24(28)30)11-6-18-29)13-16-27(17-14-25)15-12-20-7-2-1-3-8-20/h1-5,7-10,23,29H,6,11-19H2.
What are the key properties of 4-(2-fluorophenyl)-2-(3-hydroxypropyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(2-fluorophenyl)-2-(3-hydroxypropyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 426.53 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-(3-hydroxypropyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118567553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).