(5R)-9-[1-(3-bromophenyl)cyclopentanecarbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one

C27H31BrN2O2 — CID 151941208

IUPAC(5R)-9-[1-(3-bromophenyl)cyclopentanecarbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CC2(CCN(C(=O)C3(c4cccc(Br)c4)CCCC3)CC2)[C@H](c2ccccc2)CN1
InChIInChI=1S/C27H31BrN2O2/c28-22-10-6-9-21(17-22)27(11-4-5-12-27)25(32)30-15-13-26(14-16-30)18-24(31)29-19-23(26)20-7-2-1-3-8-20/h1-3,6-10,17,23H,4-5,11-16,18-19H2,(H,29,31)/t23-/m0/s1
InChIKeyTUSCCNDIAVPVFG-QHCPKHFHSA-N
MW495.46 g/mol
LogP5.17
Rot. Bonds3

About (5R)-9-[1-(3-bromophenyl)cyclopentanecarbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one

(5R)-9-[1-(3-bromophenyl)cyclopentanecarbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one (PubChem CID 151941208) has the molecular formula C27H31BrN2O2 and a molecular weight of 495.46 g/mol. Its IUPAC name is (5R)-9-[1-(3-bromophenyl)cyclopentanecarbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(5R)-9-[1-(3-bromophenyl)cyclopentanecarbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one
PubChem CID151941208
Molecular FormulaC27H31BrN2O2
Molecular Weight495.46 g/mol
Exact Mass494.16
IUPAC Name(5R)-9-[1-(3-bromophenyl)cyclopentanecarbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CC2(CCN(C(=O)C3(c4cccc(Br)c4)CCCC3)CC2)[C@H](c2ccccc2)CN1
InChIInChI=1S/C27H31BrN2O2/c28-22-10-6-9-21(17-22)27(11-4-5-12-27)25(32)30-15-13-26(14-16-30)18-24(31)29-19-23(26)20-7-2-1-3-8-20/h1-3,6-10,17,23H,4-5,11-16,18-19H2,(H,29,31)/t23-/m0/s1
InChIKeyTUSCCNDIAVPVFG-QHCPKHFHSA-N
XLogP5.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 132772424
5-(3,4-difluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 150822138
5-(3-fluorophenyl)-9-(1-phenylcyclopent-3-ene-1-carbonyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 150941837
1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone
CID 39975229
(1-phenylcyclopentyl)-[(11R)-11-phenyl-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 151183103
(2R)-6-[4-(3-bromophenyl)oxane-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 95345869
(5R)-5-phenyl-9-(3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 150878767
(5R)-5-phenyl-9-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 150878766
[1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401763
[1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 134034309
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
(5R)-9-[(2S)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one
CID 151304861

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[1-(3-bromophenyl)cyclopentanecarbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (5R)-9-[1-(3-bromophenyl)cyclopentanecarbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one (CID 151941208) is (5R)-9-[1-(3-bromophenyl)cyclopentanecarbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (5R)-9-[1-(3-bromophenyl)cyclopentanecarbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (5R)-9-[1-(3-bromophenyl)cyclopentanecarbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one is O=C1CC2(CCN(C(=O)C3(c4cccc(Br)c4)CCCC3)CC2)[C@H](c2ccccc2)CN1.
What is the InChIKey of (5R)-9-[1-(3-bromophenyl)cyclopentanecarbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is TUSCCNDIAVPVFG-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H31BrN2O2/c28-22-10-6-9-21(17-22)27(11-4-5-12-27)25(32)30-15-13-26(14-16-30)18-24(31)29-19-23(26)20-7-2-1-3-8-20/h1-3,6-10,17,23H,4-5,11-16,18-19H2,(H,29,31)/t23-/m0/s1.
What are the key properties of (5R)-9-[1-(3-bromophenyl)cyclopentanecarbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one?
(5R)-9-[1-(3-bromophenyl)cyclopentanecarbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 495.46 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[1-(3-bromophenyl)cyclopentanecarbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 151941208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).