8-[(2R)-2-fluoro-2-phenylacetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one

C20H27FN2O2 — CID 97139736

IUPAC8-[(2R)-2-fluoro-2-phenylacetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)CN1CC2(CCN(C(=O)[C@H](F)c3ccccc3)CC2)CC1=O
InChIInChI=1S/C20H27FN2O2/c1-15(2)13-23-14-20(12-17(23)24)8-10-22(11-9-20)19(25)18(21)16-6-4-3-5-7-16/h3-7,15,18H,8-14H2,1-2H3/t18-/m1/s1
InChIKeyRAJPWXJDNGZXFE-GOSISDBHSA-N
MW346.45 g/mol
LogP3.19
Rot. Bonds4

About 8-[(2R)-2-fluoro-2-phenylacetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one

8-[(2R)-2-fluoro-2-phenylacetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97139736) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 8-[(2R)-2-fluoro-2-phenylacetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[(2R)-2-fluoro-2-phenylacetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97139736
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name8-[(2R)-2-fluoro-2-phenylacetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)CN1CC2(CCN(C(=O)[C@H](F)c3ccccc3)CC2)CC1=O
InChIInChI=1S/C20H27FN2O2/c1-15(2)13-23-14-20(12-17(23)24)8-10-22(11-9-20)19(25)18(21)16-6-4-3-5-7-16/h3-7,15,18H,8-14H2,1-2H3/t18-/m1/s1
InChIKeyRAJPWXJDNGZXFE-GOSISDBHSA-N
XLogP3.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2-fluoro-2-phenylacetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[(2R)-2-fluoro-2-phenylacetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one (CID 97139736) is 8-[(2R)-2-fluoro-2-phenylacetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[(2R)-2-fluoro-2-phenylacetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[(2R)-2-fluoro-2-phenylacetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one is CC(C)CN1CC2(CCN(C(=O)[C@H](F)c3ccccc3)CC2)CC1=O.
What is the InChIKey of 8-[(2R)-2-fluoro-2-phenylacetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is RAJPWXJDNGZXFE-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-15(2)13-23-14-20(12-17(23)24)8-10-22(11-9-20)19(25)18(21)16-6-4-3-5-7-16/h3-7,15,18H,8-14H2,1-2H3/t18-/m1/s1.
What are the key properties of 8-[(2R)-2-fluoro-2-phenylacetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
8-[(2R)-2-fluoro-2-phenylacetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 346.45 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2-fluoro-2-phenylacetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97139736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).