(2R)-2-(2-methylpropyl)-1,4-diazaspiro[5.6]dodecan-3-one

C14H26N2O — CID 96592688

IUPAC(2R)-2-(2-methylpropyl)-1,4-diazaspiro[5.6]dodecan-3-one
SMILESCC(C)C[C@H]1NC2(CCCCCC2)CNC1=O
InChIInChI=1S/C14H26N2O/c1-11(2)9-12-13(17)15-10-14(16-12)7-5-3-4-6-8-14/h11-12,16H,3-10H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyKQEZJCIUTNEUIP-GFCCVEGCSA-N
MW238.37 g/mol
LogP2.21
Rot. Bonds2

About (2R)-2-(2-methylpropyl)-1,4-diazaspiro[5.6]dodecan-3-one

(2R)-2-(2-methylpropyl)-1,4-diazaspiro[5.6]dodecan-3-one (PubChem CID 96592688) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (2R)-2-(2-methylpropyl)-1,4-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name(2R)-2-(2-methylpropyl)-1,4-diazaspiro[5.6]dodecan-3-one
PubChem CID96592688
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(2R)-2-(2-methylpropyl)-1,4-diazaspiro[5.6]dodecan-3-one
SMILESCC(C)C[C@H]1NC2(CCCCCC2)CNC1=O
InChIInChI=1S/C14H26N2O/c1-11(2)9-12-13(17)15-10-14(16-12)7-5-3-4-6-8-14/h11-12,16H,3-10H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyKQEZJCIUTNEUIP-GFCCVEGCSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-3-one
CID 82391615
(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
(2S)-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one
CID 131543216
(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 23278156
(7S)-7-(2-methylpropyl)-5,8-diazaspiro[3.5]nonane-6,9-dione
CID 11820437
(2S)-9-amino-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one
CID 82391616
(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
6-ethyl-1-(1-methylcyclopentyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64973563
6-methyl-1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 64971117
3-(3,3-dimethylbutan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 104830781
(2S)-2-methyl-8-oxa-1,4-diazaspiro[5.5]undecan-3-one
CID 82406616

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylpropyl)-1,4-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of (2R)-2-(2-methylpropyl)-1,4-diazaspiro[5.6]dodecan-3-one (CID 96592688) is (2R)-2-(2-methylpropyl)-1,4-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for (2R)-2-(2-methylpropyl)-1,4-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for (2R)-2-(2-methylpropyl)-1,4-diazaspiro[5.6]dodecan-3-one is CC(C)C[C@H]1NC2(CCCCCC2)CNC1=O.
What is the InChIKey of (2R)-2-(2-methylpropyl)-1,4-diazaspiro[5.6]dodecan-3-one?
The InChIKey is KQEZJCIUTNEUIP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)9-12-13(17)15-10-14(16-12)7-5-3-4-6-8-14/h11-12,16H,3-10H2,1-2H3,(H,15,17)/t12-/m1/s1.
What are the key properties of (2R)-2-(2-methylpropyl)-1,4-diazaspiro[5.6]dodecan-3-one?
(2R)-2-(2-methylpropyl)-1,4-diazaspiro[5.6]dodecan-3-one has a molecular weight of 238.37 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylpropyl)-1,4-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 96592688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).