1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one

C12H22N2O3 — CID 97494594

IUPAC1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCO[C@]2(CNCCOC2)C1
InChIInChI=1S/C12H22N2O3/c1-10(2)11(15)14-4-6-17-12(8-14)7-13-3-5-16-9-12/h10,13H,3-9H2,1-2H3/t12-/m1/s1
InChIKeyANVKPCMZKPDXTC-GFCCVEGCSA-N
MW242.32 g/mol
LogP-0.14
Rot. Bonds1

About 1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one

1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one (PubChem CID 97494594) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one
PubChem CID97494594
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCO[C@]2(CNCCOC2)C1
InChIInChI=1S/C12H22N2O3/c1-10(2)11(15)14-4-6-17-12(8-14)7-13-3-5-16-9-12/h10,13H,3-9H2,1-2H3/t12-/m1/s1
InChIKeyANVKPCMZKPDXTC-GFCCVEGCSA-N
XLogP-0.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

N-[2-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-4-ethylcyclohexane-1-carboxamide
CID 95718110
1-[4-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-4-oxobutyl]piperidin-2-one
CID 95724682
2-(benzotriazol-2-yl)-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone
CID 95722302
[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 95718325
4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one
CID 97399284
N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 118738752
1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-(2-methoxyphenoxy)-2-methylpropan-1-one
CID 56882429
(2,6-dimethoxy-3-pyridinyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 95729959
(3-chloro-2-fluorophenyl)-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 95726443
[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1,3,7-trimethylindol-2-yl)methanone
CID 95707901
[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone
CID 95721471
1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl-(2-methyl-1-benzofuran-7-yl)methanone
CID 56896829

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one (CID 97494594) is 1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCO[C@]2(CNCCOC2)C1.
What is the InChIKey of 1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one?
The InChIKey is ANVKPCMZKPDXTC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10(2)11(15)14-4-6-17-12(8-14)7-13-3-5-16-9-12/h10,13H,3-9H2,1-2H3/t12-/m1/s1.
What are the key properties of 1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one?
1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one has a molecular weight of 242.32 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one is sourced from PubChem (CID 97494594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).