1-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-1-azaspiro[4.5]decan-2-one

C24H29NO2 — CID 70679661

IUPAC1-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-1-azaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCC(c3ccccc3)CC2)N1CC[C@@H](O)c1ccccc1
InChIInChI=1S/C24H29NO2/c26-22(21-9-5-2-6-10-21)14-18-25-23(27)13-17-24(25)15-11-20(12-16-24)19-7-3-1-4-8-19/h1-10,20,22,26H,11-18H2/t20?,22-,24?/m1/s1
InChIKeySRBUSFKMXFBEDZ-DJSMFCCRSA-N
MW363.50 g/mol
LogP4.83
Rot. Bonds5

About 1-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-1-azaspiro[4.5]decan-2-one

1-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-1-azaspiro[4.5]decan-2-one (PubChem CID 70679661) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-1-azaspiro[4.5]decan-2-one
PubChem CID70679661
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name1-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-1-azaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCC(c3ccccc3)CC2)N1CC[C@@H](O)c1ccccc1
InChIInChI=1S/C24H29NO2/c26-22(21-9-5-2-6-10-21)14-18-25-23(27)13-17-24(25)15-11-20(12-16-24)19-7-3-1-4-8-19/h1-10,20,22,26H,11-18H2/t20?,22-,24?/m1/s1
InChIKeySRBUSFKMXFBEDZ-DJSMFCCRSA-N
XLogP4.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-1-azaspiro[4.5]decan-2-one?
The IUPAC name of 1-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-1-azaspiro[4.5]decan-2-one (CID 70679661) is 1-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for 1-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-1-azaspiro[4.5]decan-2-one is O=C1CCC2(CCC(c3ccccc3)CC2)N1CC[C@@H](O)c1ccccc1.
What is the InChIKey of 1-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-1-azaspiro[4.5]decan-2-one?
The InChIKey is SRBUSFKMXFBEDZ-DJSMFCCRSA-N. The full InChI is InChI=1S/C24H29NO2/c26-22(21-9-5-2-6-10-21)14-18-25-23(27)13-17-24(25)15-11-20(12-16-24)19-7-3-1-4-8-19/h1-10,20,22,26H,11-18H2/t20?,22-,24?/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-1-azaspiro[4.5]decan-2-one?
1-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-1-azaspiro[4.5]decan-2-one has a molecular weight of 363.50 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 70679661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).