(5S,9S)-2-methyl-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one

C20H28N2O2 — CID 97392364

IUPAC(5S,9S)-2-methyl-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN1CC[C@]2(CN(CC3CCOCC3)C[C@H]2c2ccccc2)C1=O
InChIInChI=1S/C20H28N2O2/c1-21-10-9-20(19(21)23)15-22(13-16-7-11-24-12-8-16)14-18(20)17-5-3-2-4-6-17/h2-6,16,18H,7-15H2,1H3/t18-,20+/m0/s1
InChIKeyXUVBDDHJXKQOHM-AZUAARDMSA-N
MW328.46 g/mol
LogP2.36
Rot. Bonds3

About (5S,9S)-2-methyl-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one

(5S,9S)-2-methyl-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97392364) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (5S,9S)-2-methyl-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-2-methyl-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97392364
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(5S,9S)-2-methyl-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN1CC[C@]2(CN(CC3CCOCC3)C[C@H]2c2ccccc2)C1=O
InChIInChI=1S/C20H28N2O2/c1-21-10-9-20(19(21)23)15-22(13-16-7-11-24-12-8-16)14-18(20)17-5-3-2-4-6-17/h2-6,16,18H,7-15H2,1H3/t18-,20+/m0/s1
InChIKeyXUVBDDHJXKQOHM-AZUAARDMSA-N
XLogP2.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,9S)-2-methyl-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-2-methyl-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one (CID 97392364) is (5S,9S)-2-methyl-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-2-methyl-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-2-methyl-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one is CN1CC[C@]2(CN(CC3CCOCC3)C[C@H]2c2ccccc2)C1=O.
What is the InChIKey of (5S,9S)-2-methyl-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is XUVBDDHJXKQOHM-AZUAARDMSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-21-10-9-20(19(21)23)15-22(13-16-7-11-24-12-8-16)14-18(20)17-5-3-2-4-6-17/h2-6,16,18H,7-15H2,1H3/t18-,20+/m0/s1.
What are the key properties of (5S,9S)-2-methyl-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-2-methyl-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 328.46 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-2-methyl-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97392364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).