ethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile

C13H22N2O — CID 144937315

IUPACethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile
SMILESCC.CC1CCCN(C(=O)C2(C#N)CC2)C1
InChIInChI=1S/C11H16N2O.C2H6/c1-9-3-2-6-13(7-9)10(14)11(8-12)4-5-11;1-2/h9H,2-7H2,1H3;1-2H3
InChIKeyJOFMNZYNMHWJQQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.57
Rot. Bonds1

About ethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile

ethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile (PubChem CID 144937315) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is ethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Nameethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile
PubChem CID144937315
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Nameethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile
SMILESCC.CC1CCCN(C(=O)C2(C#N)CC2)C1
InChIInChI=1S/C11H16N2O.C2H6/c1-9-3-2-6-13(7-9)10(14)11(8-12)4-5-11;1-2/h9H,2-7H2,1H3;1-2H3
InChIKeyJOFMNZYNMHWJQQ-UHFFFAOYSA-N
XLogP2.57
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(3-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 80501516
1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 106586857
methyl 1-(1-cyanocycloheptanecarbonyl)piperidine-3-carboxylate
CID 115534455
1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile
CID 80501195
(1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 89395545
1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118199294
1-(3-azabicyclo[3.2.0]heptane-3-carbonyl)cyclopropane-1-carbonitrile
CID 164651159
[1-(3-methylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 108972017
1-(3-methoxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 103533305
1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclobutane-1-carbonitrile
CID 79078849
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)cyclopentane-1-carbonitrile
CID 60718273
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)cyclobutane-1-carbonitrile
CID 78994544

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile?
The IUPAC name of ethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile (CID 144937315) is ethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for ethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile?
The canonical SMILES for ethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile is CC.CC1CCCN(C(=O)C2(C#N)CC2)C1.
What is the InChIKey of ethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile?
The InChIKey is JOFMNZYNMHWJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C2H6/c1-9-3-2-6-13(7-9)10(14)11(8-12)4-5-11;1-2/h9H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile?
ethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile has a molecular weight of 222.33 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 144937315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).