(5R)-7-[(3-methoxyphenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one

C20H27F3N2O2 — CID 25395770

IUPAC(5R)-7-[(3-methoxyphenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1cccc(CN2CCC[C@]3(CCN(CCCC(F)(F)F)C3)C2=O)c1
InChIInChI=1S/C20H27F3N2O2/c1-27-17-6-2-5-16(13-17)14-25-11-3-7-19(18(25)26)9-12-24(15-19)10-4-8-20(21,22)23/h2,5-6,13H,3-4,7-12,14-15H2,1H3/t19-/m1/s1
InChIKeyLOWFEPWHJACTRV-LJQANCHMSA-N
MW384.44 g/mol
LogP3.85
Rot. Bonds6

About (5R)-7-[(3-methoxyphenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-[(3-methoxyphenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 25395770) has the molecular formula C20H27F3N2O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is (5R)-7-[(3-methoxyphenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-[(3-methoxyphenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID25395770
Molecular FormulaC20H27F3N2O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC Name(5R)-7-[(3-methoxyphenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1cccc(CN2CCC[C@]3(CCN(CCCC(F)(F)F)C3)C2=O)c1
InChIInChI=1S/C20H27F3N2O2/c1-27-17-6-2-5-16(13-17)14-25-11-3-7-19(18(25)26)9-12-24(15-19)10-4-8-20(21,22)23/h2,5-6,13H,3-4,7-12,14-15H2,1H3/t19-/m1/s1
InChIKeyLOWFEPWHJACTRV-LJQANCHMSA-N
XLogP3.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-7-[(3-methylphenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42113986
2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45223915
(5S)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25285350
(5S)-7-[(3-methoxyphenyl)methyl]-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one
CID 42154935
(5S)-2-[(3-methoxyphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373915
(5S)-2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97373921
2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 131647571
(5R)-2-[(3-methoxyphenyl)methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451667
N-butyl-7-[(3-methoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 45212624
7-[(3-methoxyphenyl)methyl]-2-(4-methylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45226503
(5S)-7-ethylsulfonyl-2-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97451697
(5R)-7-[(3-methoxyphenyl)methyl]-2-(thiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42511203

Frequently Asked Questions

What is the IUPAC name of (5R)-7-[(3-methoxyphenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-[(3-methoxyphenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one (CID 25395770) is (5R)-7-[(3-methoxyphenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-[(3-methoxyphenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-[(3-methoxyphenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one is COc1cccc(CN2CCC[C@]3(CCN(CCCC(F)(F)F)C3)C2=O)c1.
What is the InChIKey of (5R)-7-[(3-methoxyphenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is LOWFEPWHJACTRV-LJQANCHMSA-N. The full InChI is InChI=1S/C20H27F3N2O2/c1-27-17-6-2-5-16(13-17)14-25-11-3-7-19(18(25)26)9-12-24(15-19)10-4-8-20(21,22)23/h2,5-6,13H,3-4,7-12,14-15H2,1H3/t19-/m1/s1.
What are the key properties of (5R)-7-[(3-methoxyphenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-[(3-methoxyphenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 384.44 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-[(3-methoxyphenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 25395770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).