1-[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile

C17H27N3O2 — CID 131690386

IUPAC1-[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile
SMILESCN(C)C1COC2(CCN(C(=O)C3(C#N)CCCC3)CC2)C1
InChIInChI=1S/C17H27N3O2/c1-19(2)14-11-17(22-12-14)7-9-20(10-8-17)15(21)16(13-18)5-3-4-6-16/h14H,3-12H2,1-2H3
InChIKeyLSWHRXLPGYSKMS-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.78
Rot. Bonds2

About 1-[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile

1-[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 131690386) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile
PubChem CID131690386
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile
SMILESCN(C)C1COC2(CCN(C(=O)C3(C#N)CCCC3)CC2)C1
InChIInChI=1S/C17H27N3O2/c1-19(2)14-11-17(22-12-14)7-9-20(10-8-17)15(21)16(13-18)5-3-4-6-16/h14H,3-12H2,1-2H3
InChIKeyLSWHRXLPGYSKMS-UHFFFAOYSA-N
XLogP1.78
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-hydroxycyclobutyl)methanone
CID 131690369
1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 51073773
1-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)cyclopentane-1-carbonitrile
CID 131686775
[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone
CID 133141655
1-[4-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]cyclopentane-1-carbonitrile
CID 131686683
[(3S)-3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
CID 97450581
1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile
CID 71683394
1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118199294
methyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate
CID 60718203
[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methyl-1,2-oxazol-4-yl)methanone
CID 131651452
1-(2,2-dimethylmorpholine-4-carbonyl)cyclohexane-1-carbonitrile
CID 61461376
(3S,4aS,8aR)-6-(1-cyanocyclopentanecarbonyl)-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 131689602

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile (CID 131690386) is 1-[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile is CN(C)C1COC2(CCN(C(=O)C3(C#N)CCCC3)CC2)C1.
What is the InChIKey of 1-[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is LSWHRXLPGYSKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-19(2)14-11-17(22-12-14)7-9-20(10-8-17)15(21)16(13-18)5-3-4-6-16/h14H,3-12H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile?
1-[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 305.42 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 131690386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).