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

C26H29F3N2O4 — CID 151735172

IUPAC(5R)-5-(2-methoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
SMILESCOc1ccccc1[C@@H]1CNC(=O)CC12CCN(C(=O)[C@](OC)(c1ccccc1)C(F)(F)F)CC2
InChIInChI=1S/C26H29F3N2O4/c1-34-21-11-7-6-10-19(21)20-17-30-22(32)16-24(20)12-14-31(15-13-24)23(33)25(35-2,26(27,28)29)18-8-4-3-5-9-18/h3-11,20H,12-17H2,1-2H3,(H,30,32)/t20-,25+/m0/s1
InChIKeyRLJMERPAJNBSDE-NBGIEHNGSA-N
MW490.52 g/mol
LogP4.01
Rot. Bonds5

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

(5R)-5-(2-methoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one (PubChem CID 151735172) has the molecular formula C26H29F3N2O4 and a molecular weight of 490.52 g/mol. Its IUPAC name is (5R)-5-(2-methoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(5R)-5-(2-methoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
PubChem CID151735172
Molecular FormulaC26H29F3N2O4
Molecular Weight490.52 g/mol
Exact Mass490.21
IUPAC Name(5R)-5-(2-methoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
SMILESCOc1ccccc1[C@@H]1CNC(=O)CC12CCN(C(=O)[C@](OC)(c1ccccc1)C(F)(F)F)CC2
InChIInChI=1S/C26H29F3N2O4/c1-34-21-11-7-6-10-19(21)20-17-30-22(32)16-24(20)12-14-31(15-13-24)23(33)25(35-2,26(27,28)29)18-8-4-3-5-9-18/h3-11,20H,12-17H2,1-2H3,(H,30,32)/t20-,25+/m0/s1
InChIKeyRLJMERPAJNBSDE-NBGIEHNGSA-N
XLogP4.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
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N-(2-fluorobenzyl)-3-{1-[(2-methoxyphenyl)acetyl]-3-piperidinyl}propanamide
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5-(4-fluoro-3-methylphenyl)-1-(2-methoxyacetyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
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4-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)oxane-4-carboxamide
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1-(4-fluorophenyl)-N-((1-(2-phenoxyacetyl)piperidin-4-yl)methyl)cyclopropanecarboxamide
CID 49754819
CID 169493199
CID 169493199
1-(Cyclopropylcarbonyl)-N-(2-methoxyphenethyl)-5-phenyl-3-piperidinecarboxamide
CID 46069352
N-(3-morpholin-4-ylpropyl)-9H-xanthene-9-carboxamide
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CID 149967332
CID 149967332
(5R)-5-(2-methoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undec-3-en-2-one
CID 170459225
(5R,6R)-5-(2-methoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undec-10-en-2-one
CID 170459226

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-methoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (5R)-5-(2-methoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one (CID 151735172) is (5R)-5-(2-methoxyphenyl)-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-(2-methoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (5R)-5-(2-methoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one is COc1ccccc1[C@@H]1CNC(=O)CC12CCN(C(=O)[C@](OC)(c1ccccc1)C(F)(F)F)CC2.
What is the InChIKey of (5R)-5-(2-methoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is RLJMERPAJNBSDE-NBGIEHNGSA-N. The full InChI is InChI=1S/C26H29F3N2O4/c1-34-21-11-7-6-10-19(21)20-17-30-22(32)16-24(20)12-14-31(15-13-24)23(33)25(35-2,26(27,28)29)18-8-4-3-5-9-18/h3-11,20H,12-17H2,1-2H3,(H,30,32)/t20-,25+/m0/s1.
What are the key properties of (5R)-5-(2-methoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?
(5R)-5-(2-methoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 490.52 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-methoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 151735172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).