1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carbonitrile

C14H22N2O2 — CID 65156614

IUPAC1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carbonitrile
SMILESCC1OC(C)C(C(=O)N2CCCCC2C#N)C1C
InChIInChI=1S/C14H22N2O2/c1-9-10(2)18-11(3)13(9)14(17)16-7-5-4-6-12(16)8-15/h9-13H,4-7H2,1-3H3
InChIKeyPOVOPQFBAXKYNG-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.95
Rot. Bonds1

About 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carbonitrile

1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carbonitrile (PubChem CID 65156614) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carbonitrile.

Molecular Properties

Compound Name1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carbonitrile
PubChem CID65156614
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carbonitrile
SMILESCC1OC(C)C(C(=O)N2CCCCC2C#N)C1C
InChIInChI=1S/C14H22N2O2/c1-9-10(2)18-11(3)13(9)14(17)16-7-5-4-6-12(16)8-15/h9-13H,4-7H2,1-3H3
InChIKeyPOVOPQFBAXKYNG-UHFFFAOYSA-N
XLogP1.95
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)azepan-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 116636465
(2S)-1-acetylazepane-2-carbonitrile
CID 125042026
methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylate
CID 65160003
1-[1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541106
(2S)-1-[(1S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole-1-carbonyl]pyrrolidine-2-carbonitrile
CID 70338028
tert-butyl (2R)-2-cyanopiperidine-1-carboxylate
CID 7019482
1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 91248515
2-cyano-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159844
4-methyl-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carboxylic acid
CID 114422001
(2S)-1-[(1R,3S,4S,6R)-6-pyrrolidin-1-yl-2-azabicyclo[2.2.1]heptane-3-carbonyl]pyrrolidine-2-carbonitrile;dihydrochloride
CID 69134629
1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 65157522
1-[4-[(2S)-2-cyanopyrrolidin-1-yl]-4-oxobut-2-enoyl]pyrrolidine-2-carbonitrile
CID 91003836

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carbonitrile?
The IUPAC name of 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carbonitrile (CID 65156614) is 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carbonitrile.
What is the SMILES notation for 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carbonitrile?
The canonical SMILES for 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carbonitrile is CC1OC(C)C(C(=O)N2CCCCC2C#N)C1C.
What is the InChIKey of 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carbonitrile?
The InChIKey is POVOPQFBAXKYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-10(2)18-11(3)13(9)14(17)16-7-5-4-6-12(16)8-15/h9-13H,4-7H2,1-3H3.
What are the key properties of 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carbonitrile?
1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carbonitrile has a molecular weight of 250.34 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-2-carbonitrile is sourced from PubChem (CID 65156614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).