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

C19H26N2O2 — CID 97471860

IUPAC(5S,9S)-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1NCC[C@]12CN(CC1CCOCC1)C[C@H]2c1ccccc1
InChIInChI=1S/C19H26N2O2/c22-18-19(8-9-20-18)14-21(12-15-6-10-23-11-7-15)13-17(19)16-4-2-1-3-5-16/h1-5,15,17H,6-14H2,(H,20,22)/t17-,19+/m0/s1
InChIKeyXUQRURFFSNMRPC-PKOBYXMFSA-N
MW314.43 g/mol
LogP2.02
Rot. Bonds3

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

(5S,9S)-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97471860) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (5S,9S)-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97471860
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(5S,9S)-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1NCC[C@]12CN(CC1CCOCC1)C[C@H]2c1ccccc1
InChIInChI=1S/C19H26N2O2/c22-18-19(8-9-20-18)14-21(12-15-6-10-23-11-7-15)13-17(19)16-4-2-1-3-5-16/h1-5,15,17H,6-14H2,(H,20,22)/t17-,19+/m0/s1
InChIKeyXUQRURFFSNMRPC-PKOBYXMFSA-N
XLogP2.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,9S)-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one (CID 97471860) is (5S,9S)-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one is O=C1NCC[C@]12CN(CC1CCOCC1)C[C@H]2c1ccccc1.
What is the InChIKey of (5S,9S)-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is XUQRURFFSNMRPC-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-18-19(8-9-20-18)14-21(12-15-6-10-23-11-7-15)13-17(19)16-4-2-1-3-5-16/h1-5,15,17H,6-14H2,(H,20,22)/t17-,19+/m0/s1.
What are the key properties of (5S,9S)-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 314.43 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97471860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).