(5S,10R)-9-(1,3-benzodioxol-5-ylmethyl)-10-ethyl-1,9-diazaspiro[4.5]decan-2-one

C18H24N2O3 — CID 97392428

IUPAC(5S,10R)-9-(1,3-benzodioxol-5-ylmethyl)-10-ethyl-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@H]1N(Cc2ccc3c(c2)OCO3)CCC[C@]12CCC(=O)N2
InChIInChI=1S/C18H24N2O3/c1-2-16-18(8-6-17(21)19-18)7-3-9-20(16)11-13-4-5-14-15(10-13)23-12-22-14/h4-5,10,16H,2-3,6-9,11-12H2,1H3,(H,19,21)/t16-,18+/m1/s1
InChIKeyIRCZAABQTLDAET-AEFFLSMTSA-N
MW316.40 g/mol
LogP2.44
Rot. Bonds3

About (5S,10R)-9-(1,3-benzodioxol-5-ylmethyl)-10-ethyl-1,9-diazaspiro[4.5]decan-2-one

(5S,10R)-9-(1,3-benzodioxol-5-ylmethyl)-10-ethyl-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 97392428) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (5S,10R)-9-(1,3-benzodioxol-5-ylmethyl)-10-ethyl-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,10R)-9-(1,3-benzodioxol-5-ylmethyl)-10-ethyl-1,9-diazaspiro[4.5]decan-2-one
PubChem CID97392428
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(5S,10R)-9-(1,3-benzodioxol-5-ylmethyl)-10-ethyl-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@H]1N(Cc2ccc3c(c2)OCO3)CCC[C@]12CCC(=O)N2
InChIInChI=1S/C18H24N2O3/c1-2-16-18(8-6-17(21)19-18)7-3-9-20(16)11-13-4-5-14-15(10-13)23-12-22-14/h4-5,10,16H,2-3,6-9,11-12H2,1H3,(H,19,21)/t16-,18+/m1/s1
InChIKeyIRCZAABQTLDAET-AEFFLSMTSA-N
XLogP2.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S,10R)-9-(1,3-benzodioxol-5-ylmethyl)-10-ethyl-1,9-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S,10S)-9-(1,3-benzodioxol-5-ylmethyl)-10-ethyl-1,9-diazaspiro[4.5]decan-2-one
CID 97386039
(5S,10R)-9-[(4,5-dimethylfuran-2-yl)methyl]-10-ethyl-1,9-diazaspiro[4.5]decan-2-one
CID 97415459
3-(1,3-benzodioxol-5-ylmethyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7264231
3-(1,3-benzodioxol-5-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 7277305
5-(1,3-benzodioxol-5-ylmethyl)-5-methylpyrrolidin-2-one
CID 104687362
5-(1,3-benzodioxol-5-ylmethyl)-5-ethylpyrrolidin-2-one
CID 104687565
(5S,10R)-10-ethyl-9-(2-phenylmethoxyethyl)-1,9-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155852579
1-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpiperidine
CID 46889878
[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-2-yl]methanol
CID 23935026
(3aS,7aS)-2-(1,3-benzodioxol-5-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 51530848
(5S)-5-(1,3-benzodioxol-5-yl)-3-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
CID 7359238
(5S,10S)-10-ethyl-9-(4-fluorophenyl)sulfonyl-1,9-diazaspiro[4.5]decan-2-one
CID 98810331

Frequently Asked Questions

What is the IUPAC name of (5S,10R)-9-(1,3-benzodioxol-5-ylmethyl)-10-ethyl-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,10R)-9-(1,3-benzodioxol-5-ylmethyl)-10-ethyl-1,9-diazaspiro[4.5]decan-2-one (CID 97392428) is (5S,10R)-9-(1,3-benzodioxol-5-ylmethyl)-10-ethyl-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,10R)-9-(1,3-benzodioxol-5-ylmethyl)-10-ethyl-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,10R)-9-(1,3-benzodioxol-5-ylmethyl)-10-ethyl-1,9-diazaspiro[4.5]decan-2-one is CC[C@H]1N(Cc2ccc3c(c2)OCO3)CCC[C@]12CCC(=O)N2.
What is the InChIKey of (5S,10R)-9-(1,3-benzodioxol-5-ylmethyl)-10-ethyl-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is IRCZAABQTLDAET-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-2-16-18(8-6-17(21)19-18)7-3-9-20(16)11-13-4-5-14-15(10-13)23-12-22-14/h4-5,10,16H,2-3,6-9,11-12H2,1H3,(H,19,21)/t16-,18+/m1/s1.
What are the key properties of (5S,10R)-9-(1,3-benzodioxol-5-ylmethyl)-10-ethyl-1,9-diazaspiro[4.5]decan-2-one?
(5S,10R)-9-(1,3-benzodioxol-5-ylmethyl)-10-ethyl-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 316.40 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10R)-9-(1,3-benzodioxol-5-ylmethyl)-10-ethyl-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97392428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).