(5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one

C16H22N2O2 — CID 97490514

IUPAC(5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccccc2)CC[C@@]12CCCN(CCO)C2
InChIInChI=1S/C16H22N2O2/c19-12-11-17-9-4-7-16(13-17)8-10-18(15(16)20)14-5-2-1-3-6-14/h1-3,5-6,19H,4,7-13H2/t16-/m1/s1
InChIKeyZFADRWLXZFLMRH-MRXNPFEDSA-N
MW274.36 g/mol
LogP1.50
Rot. Bonds3

About (5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one

(5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 97490514) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID97490514
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccccc2)CC[C@@]12CCCN(CCO)C2
InChIInChI=1S/C16H22N2O2/c19-12-11-17-9-4-7-16(13-17)8-10-18(15(16)20)14-5-2-1-3-6-14/h1-3,5-6,19H,4,7-13H2/t16-/m1/s1
InChIKeyZFADRWLXZFLMRH-MRXNPFEDSA-N
XLogP1.50
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one (CID 97490514) is (5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one is O=C1N(c2ccccc2)CC[C@@]12CCCN(CCO)C2.
What is the InChIKey of (5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is ZFADRWLXZFLMRH-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-12-11-17-9-4-7-16(13-17)8-10-18(15(16)20)14-5-2-1-3-6-14/h1-3,5-6,19H,4,7-13H2/t16-/m1/s1.
What are the key properties of (5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
(5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 274.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97490514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).