8-[2-(3-fluorophenyl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H27FN2O3 — CID 70775730

IUPAC8-[2-(3-fluorophenyl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(C)N1CC2(CCN(C(=O)Cc3cccc(F)c3)CC2)OC1=O
InChIInChI=1S/C20H27FN2O3/c1-3-5-15(2)23-14-20(26-19(23)25)8-10-22(11-9-20)18(24)13-16-6-4-7-17(21)12-16/h4,6-7,12,15H,3,5,8-11,13-14H2,1-2H3
InChIKeyNYQVSYLGGMTWKB-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.37
Rot. Bonds5

About 8-[2-(3-fluorophenyl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-(3-fluorophenyl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70775730) has the molecular formula C20H27FN2O3 and a molecular weight of 362.45 g/mol. Its IUPAC name is 8-[2-(3-fluorophenyl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(3-fluorophenyl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70775730
Molecular FormulaC20H27FN2O3
Molecular Weight362.45 g/mol
Exact Mass362.20
IUPAC Name8-[2-(3-fluorophenyl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(C)N1CC2(CCN(C(=O)Cc3cccc(F)c3)CC2)OC1=O
InChIInChI=1S/C20H27FN2O3/c1-3-5-15(2)23-14-20(26-19(23)25)8-10-22(11-9-20)18(24)13-16-6-4-7-17(21)12-16/h4,6-7,12,15H,3,5,8-11,13-14H2,1-2H3
InChIKeyNYQVSYLGGMTWKB-UHFFFAOYSA-N
XLogP3.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(3-fluorophenyl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(3-fluorophenyl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70775730) is 8-[2-(3-fluorophenyl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(3-fluorophenyl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(3-fluorophenyl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCC(C)N1CC2(CCN(C(=O)Cc3cccc(F)c3)CC2)OC1=O.
What is the InChIKey of 8-[2-(3-fluorophenyl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is NYQVSYLGGMTWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O3/c1-3-5-15(2)23-14-20(26-19(23)25)8-10-22(11-9-20)18(24)13-16-6-4-7-17(21)12-16/h4,6-7,12,15H,3,5,8-11,13-14H2,1-2H3.
What are the key properties of 8-[2-(3-fluorophenyl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(3-fluorophenyl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 362.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-fluorophenyl)acetyl]-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70775730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).