2-(3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile

C12H18N2O — CID 123477131

IUPAC2-(3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile
SMILESCC1(C)CCCN(C(=O)C2CC2C#N)C1
InChIInChI=1S/C12H18N2O/c1-12(2)4-3-5-14(8-12)11(15)10-6-9(10)7-13/h9-10H,3-6,8H2,1-2H3
InChIKeyIEBIQBFDUAYTJZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.79
Rot. Bonds1

About 2-(3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile

2-(3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile (PubChem CID 123477131) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-(3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile
PubChem CID123477131
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile
SMILESCC1(C)CCCN(C(=O)C2CC2C#N)C1
InChIInChI=1S/C12H18N2O/c1-12(2)4-3-5-14(8-12)11(15)10-6-9(10)7-13/h9-10H,3-6,8H2,1-2H3
InChIKeyIEBIQBFDUAYTJZ-UHFFFAOYSA-N
XLogP1.79
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,4-dimethylazepane-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120976964
2-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)cyclopropane-1-carbonitrile
CID 171423088
4-(3,3-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 78957612
4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenylpyrrolidine-2-carboxylate
CID 86751925
(3,3-dimethylpiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 132649427
(3,5-dimethyl-3-bicyclo[5.1.1]nonanyl)-(3,3-dimethylpiperidin-1-yl)methanone
CID 123513598
(5-amino-2,4-dimethylcyclohexyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 102706831
[2-(2-oxa-8-azaspiro[3.5]nonane-8-carbonyl)cyclobutyl]-(2-oxa-8-azaspiro[3.5]nonan-8-yl)methanone
CID 155955717
(3,3-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone
CID 70702941
(3-hydroxy-3-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 115885938
2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511965
1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79382487

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile?
The IUPAC name of 2-(3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile (CID 123477131) is 2-(3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-(3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 2-(3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile is CC1(C)CCCN(C(=O)C2CC2C#N)C1.
What is the InChIKey of 2-(3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile?
The InChIKey is IEBIQBFDUAYTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2)4-3-5-14(8-12)11(15)10-6-9(10)7-13/h9-10H,3-6,8H2,1-2H3.
What are the key properties of 2-(3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile?
2-(3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile has a molecular weight of 206.29 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 123477131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).