(5S,9S)-2-methyl-7-(oxolan-3-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one

C19H26N2O2 — CID 127021111

IUPAC(5S,9S)-2-methyl-7-(oxolan-3-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN1CC[C@]2(CN(CC3CCOC3)C[C@H]2c2ccccc2)C1=O
InChIInChI=1S/C19H26N2O2/c1-20-9-8-19(18(20)22)14-21(11-15-7-10-23-13-15)12-17(19)16-5-3-2-4-6-16/h2-6,15,17H,7-14H2,1H3/t15?,17-,19+/m0/s1
InChIKeyGNODWKICYOOTND-IYSUZNMVSA-N
MW314.43 g/mol
LogP1.97
Rot. Bonds3

About (5S,9S)-2-methyl-7-(oxolan-3-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one

(5S,9S)-2-methyl-7-(oxolan-3-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 127021111) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (5S,9S)-2-methyl-7-(oxolan-3-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-2-methyl-7-(oxolan-3-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID127021111
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(5S,9S)-2-methyl-7-(oxolan-3-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN1CC[C@]2(CN(CC3CCOC3)C[C@H]2c2ccccc2)C1=O
InChIInChI=1S/C19H26N2O2/c1-20-9-8-19(18(20)22)14-21(11-15-7-10-23-13-15)12-17(19)16-5-3-2-4-6-16/h2-6,15,17H,7-14H2,1H3/t15?,17-,19+/m0/s1
InChIKeyGNODWKICYOOTND-IYSUZNMVSA-N
XLogP1.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.97
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-(oxolan-3-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-2-methyl-7-(oxolan-3-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one (CID 127021111) is (5S,9S)-2-methyl-7-(oxolan-3-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-2-methyl-7-(oxolan-3-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-2-methyl-7-(oxolan-3-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one is CN1CC[C@]2(CN(CC3CCOC3)C[C@H]2c2ccccc2)C1=O.
What is the InChIKey of (5S,9S)-2-methyl-7-(oxolan-3-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is GNODWKICYOOTND-IYSUZNMVSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-20-9-8-19(18(20)22)14-21(11-15-7-10-23-13-15)12-17(19)16-5-3-2-4-6-16/h2-6,15,17H,7-14H2,1H3/t15?,17-,19+/m0/s1.
What are the key properties of (5S,9S)-2-methyl-7-(oxolan-3-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-2-methyl-7-(oxolan-3-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 314.43 g/mol, XLogP of 1.97, 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-(oxolan-3-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 127021111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).