(5R)-5-(4-fluorophenyl)-9-[(2S)-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one

C25H29FN2O3 — CID 150087990

IUPAC(5R)-5-(4-fluorophenyl)-9-[(2S)-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
SMILESCO[C@](C)(C(=O)N1CCC2(CC1)CC(=O)NC[C@H]2c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C25H29FN2O3/c1-24(31-2,19-6-4-3-5-7-19)23(30)28-14-12-25(13-15-28)16-22(29)27-17-21(25)18-8-10-20(26)11-9-18/h3-11,21H,12-17H2,1-2H3,(H,27,29)/t21-,24-/m0/s1
InChIKeyDSQDGZSSVMCCMA-URXFXBBRSA-N
MW424.52 g/mol
LogP3.60
Rot. Bonds4

About (5R)-5-(4-fluorophenyl)-9-[(2S)-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one

(5R)-5-(4-fluorophenyl)-9-[(2S)-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one (PubChem CID 150087990) has the molecular formula C25H29FN2O3 and a molecular weight of 424.52 g/mol. Its IUPAC name is (5R)-5-(4-fluorophenyl)-9-[(2S)-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(5R)-5-(4-fluorophenyl)-9-[(2S)-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
PubChem CID150087990
Molecular FormulaC25H29FN2O3
Molecular Weight424.52 g/mol
Exact Mass424.22
IUPAC Name(5R)-5-(4-fluorophenyl)-9-[(2S)-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
SMILESCO[C@](C)(C(=O)N1CCC2(CC1)CC(=O)NC[C@H]2c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C25H29FN2O3/c1-24(31-2,19-6-4-3-5-7-19)23(30)28-14-12-25(13-15-28)16-22(29)27-17-21(25)18-8-10-20(26)11-9-18/h3-11,21H,12-17H2,1-2H3,(H,27,29)/t21-,24-/m0/s1
InChIKeyDSQDGZSSVMCCMA-URXFXBBRSA-N
XLogP3.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-fluorophenyl)-9-[(2S)-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (5R)-5-(4-fluorophenyl)-9-[(2S)-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one (CID 150087990) is (5R)-5-(4-fluorophenyl)-9-[(2S)-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (5R)-5-(4-fluorophenyl)-9-[(2S)-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (5R)-5-(4-fluorophenyl)-9-[(2S)-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one is CO[C@](C)(C(=O)N1CCC2(CC1)CC(=O)NC[C@H]2c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (5R)-5-(4-fluorophenyl)-9-[(2S)-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is DSQDGZSSVMCCMA-URXFXBBRSA-N. The full InChI is InChI=1S/C25H29FN2O3/c1-24(31-2,19-6-4-3-5-7-19)23(30)28-14-12-25(13-15-28)16-22(29)27-17-21(25)18-8-10-20(26)11-9-18/h3-11,21H,12-17H2,1-2H3,(H,27,29)/t21-,24-/m0/s1.
What are the key properties of (5R)-5-(4-fluorophenyl)-9-[(2S)-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?
(5R)-5-(4-fluorophenyl)-9-[(2S)-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 424.52 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-fluorophenyl)-9-[(2S)-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 150087990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).