2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]butanenitrile

C16H27N3O — CID 79903495

IUPAC2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C16H27N3O/c1-2-14(13-17)18-7-9-19(10-8-18)15-4-11-20-16(12-15)5-3-6-16/h14-15H,2-12H2,1H3
InChIKeyOZGDDOIDAIOYBN-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.01
Rot. Bonds3

About 2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]butanenitrile

2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]butanenitrile (PubChem CID 79903495) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]butanenitrile
PubChem CID79903495
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C16H27N3O/c1-2-14(13-17)18-7-9-19(10-8-18)15-4-11-20-16(12-15)5-3-6-16/h14-15H,2-12H2,1H3
InChIKeyOZGDDOIDAIOYBN-UHFFFAOYSA-N
XLogP2.01
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]propan-1-amine
CID 79897600
2-[4-(1,9-dioxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propanenitrile
CID 79900815
2-[4-(1-oxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propan-1-amine
CID 79901324
2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]propanenitrile
CID 79903177
3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)azetidin-3-ol
CID 79920651
1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-3-carbonitrile
CID 79903255
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79904478
1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79906102
ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate
CID 79920218
1-(5-oxaspiro[3.5]nonan-8-yl)-1,4-diazepane
CID 79905033
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)azetidin-3-ol
CID 79920128
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-amine
CID 79900305

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]butanenitrile?
The IUPAC name of 2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]butanenitrile (CID 79903495) is 2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]butanenitrile.
What is the SMILES notation for 2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]butanenitrile?
The canonical SMILES for 2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]butanenitrile is CCC(C#N)N1CCN(C2CCOC3(CCC3)C2)CC1.
What is the InChIKey of 2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]butanenitrile?
The InChIKey is OZGDDOIDAIOYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-2-14(13-17)18-7-9-19(10-8-18)15-4-11-20-16(12-15)5-3-6-16/h14-15H,2-12H2,1H3.
What are the key properties of 2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]butanenitrile?
2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]butanenitrile has a molecular weight of 277.41 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]butanenitrile is sourced from PubChem (CID 79903495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).