(5R)-5-(4-fluoro-3-methylphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one

C26H28F4N2O3 — CID 151623925

IUPAC(5R)-5-(4-fluoro-3-methylphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
SMILESCO[C@@](C(=O)N1CCC2(CC1)CC(=O)NC[C@H]2c1ccc(F)c(C)c1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C26H28F4N2O3/c1-17-14-18(8-9-21(17)27)20-16-31-22(33)15-24(20)10-12-32(13-11-24)23(34)25(35-2,26(28,29)30)19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,31,33)/t20-,25+/m0/s1
InChIKeyQPBWSDVOJNWAQL-NBGIEHNGSA-N
MW492.51 g/mol
LogP4.45
Rot. Bonds4

About (5R)-5-(4-fluoro-3-methylphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one

(5R)-5-(4-fluoro-3-methylphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one (PubChem CID 151623925) has the molecular formula C26H28F4N2O3 and a molecular weight of 492.51 g/mol. Its IUPAC name is (5R)-5-(4-fluoro-3-methylphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(5R)-5-(4-fluoro-3-methylphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
PubChem CID151623925
Molecular FormulaC26H28F4N2O3
Molecular Weight492.51 g/mol
Exact Mass492.20
IUPAC Name(5R)-5-(4-fluoro-3-methylphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
SMILESCO[C@@](C(=O)N1CCC2(CC1)CC(=O)NC[C@H]2c1ccc(F)c(C)c1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C26H28F4N2O3/c1-17-14-18(8-9-21(17)27)20-16-31-22(33)15-24(20)10-12-32(13-11-24)23(34)25(35-2,26(28,29)30)19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,31,33)/t20-,25+/m0/s1
InChIKeyQPBWSDVOJNWAQL-NBGIEHNGSA-N
XLogP4.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.51
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-5-(4-fluoro-3-methylphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one with MolForge

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Related Compounds

(5R)-5-(3,4-difluorophenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 150207897
9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-5-(2,3,5-trifluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 151171409
(5R)-5-(2-aminophenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 151394267
9-[2-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methoxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 150377693
(5R)-9-[2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-methoxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 151494445
(5S)-5-[2-(difluoromethyl)phenyl]-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 150487821
9-[2-(2,4-dimethylphenyl)-3,3,3-trifluoro-2-methoxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 150593974
5-(2-ethylpyrazol-3-yl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 150807519
(5R)-5-pyrazolo[1,5-a]pyridin-7-yl-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 151117213
(5R)-5-(2-propoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 150987875
5-(2-propoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 150987874
5-[2-(2-methoxy-2-methylpropoxy)phenyl]-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 151749854

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-fluoro-3-methylphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (5R)-5-(4-fluoro-3-methylphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one (CID 151623925) is (5R)-5-(4-fluoro-3-methylphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (5R)-5-(4-fluoro-3-methylphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (5R)-5-(4-fluoro-3-methylphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one is CO[C@@](C(=O)N1CCC2(CC1)CC(=O)NC[C@H]2c1ccc(F)c(C)c1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (5R)-5-(4-fluoro-3-methylphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is QPBWSDVOJNWAQL-NBGIEHNGSA-N. The full InChI is InChI=1S/C26H28F4N2O3/c1-17-14-18(8-9-21(17)27)20-16-31-22(33)15-24(20)10-12-32(13-11-24)23(34)25(35-2,26(28,29)30)19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,31,33)/t20-,25+/m0/s1.
What are the key properties of (5R)-5-(4-fluoro-3-methylphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?
(5R)-5-(4-fluoro-3-methylphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 492.51 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-fluoro-3-methylphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 151623925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).