(2R)-2-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-3-one

C12H23N3O — CID 82391615

IUPAC(2R)-2-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-3-one
SMILESCC(C)C[C@H]1NC2(CCNCC2)CNC1=O
InChIInChI=1S/C12H23N3O/c1-9(2)7-10-11(16)14-8-12(15-10)3-5-13-6-4-12/h9-10,13,15H,3-8H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeyOWHDCAGWMCLPRZ-SNVBAGLBSA-N
MW225.34 g/mol
LogP0.24
Rot. Bonds2

About (2R)-2-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-3-one

(2R)-2-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-3-one (PubChem CID 82391615) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (2R)-2-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(2R)-2-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-3-one
PubChem CID82391615
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(2R)-2-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-3-one
SMILESCC(C)C[C@H]1NC2(CCNCC2)CNC1=O
InChIInChI=1S/C12H23N3O/c1-9(2)7-10-11(16)14-8-12(15-10)3-5-13-6-4-12/h9-10,13,15H,3-8H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeyOWHDCAGWMCLPRZ-SNVBAGLBSA-N
XLogP0.24
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-methylpropyl)-1,4-diazaspiro[5.6]dodecan-3-one
CID 96592688
(3R)-5,5-dimethyl-3-(2-methylpropyl)piperazin-2-one
CID 92975056
(2S)-2-propan-2-yl-1,4-diazaspiro[5.6]dodecan-3-one
CID 96604555
(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 23278156
(6S,9S,12S)-7-hydroxy-6-[(1R)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-9-(2-methylpropyl)-2,5,8,11,14-pentazaspiro[3.11]pentadecane-10,13-dione
CID 139553896
(2S)-9-amino-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one
CID 82391616
1-butyl-5-methylidene-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-2-one
CID 142066829
(3S,6R)-3-(hydroxymethyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 162908531
2-(2-methylpropyl)-6-azaspiro[2.5]octane
CID 115013358
(7S)-7-(2-methylpropyl)-5,8-diazaspiro[3.5]nonane-6,9-dione
CID 11820437
21-amino-3,12,15-tris(2-methylpropyl)-6,9,18-tris[2-(phosphanylamino)ethyl]-1,4,7,10,13,16,19-heptazacyclotricosane-2,5,8,11,14,17,20-heptone
CID 88934008
3-cyclopropyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64883856

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-3-one?
The IUPAC name of (2R)-2-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-3-one (CID 82391615) is (2R)-2-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (2R)-2-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-3-one?
The canonical SMILES for (2R)-2-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-3-one is CC(C)C[C@H]1NC2(CCNCC2)CNC1=O.
What is the InChIKey of (2R)-2-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-3-one?
The InChIKey is OWHDCAGWMCLPRZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(2)7-10-11(16)14-8-12(15-10)3-5-13-6-4-12/h9-10,13,15H,3-8H2,1-2H3,(H,14,16)/t10-/m1/s1.
What are the key properties of (2R)-2-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-3-one?
(2R)-2-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-3-one has a molecular weight of 225.34 g/mol, XLogP of 0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 82391615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).