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

C13H20N2O — CID 79005828

IUPAC1-(2,3-dimethylpiperidine-1-carbonyl)cyclobutane-1-carbonitrile
SMILESCC1CCCN(C(=O)C2(C#N)CCC2)C1C
InChIInChI=1S/C13H20N2O/c1-10-5-3-8-15(11(10)2)12(16)13(9-14)6-4-7-13/h10-11H,3-8H2,1-2H3
InChIKeyBRHFKGMXFUJUCZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.33
Rot. Bonds1

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

1-(2,3-dimethylpiperidine-1-carbonyl)cyclobutane-1-carbonitrile (PubChem CID 79005828) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperidine-1-carbonyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,3-dimethylpiperidine-1-carbonyl)cyclobutane-1-carbonitrile
PubChem CID79005828
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(2,3-dimethylpiperidine-1-carbonyl)cyclobutane-1-carbonitrile
SMILESCC1CCCN(C(=O)C2(C#N)CCC2)C1C
InChIInChI=1S/C13H20N2O/c1-10-5-3-8-15(11(10)2)12(16)13(9-14)6-4-7-13/h10-11H,3-8H2,1-2H3
InChIKeyBRHFKGMXFUJUCZ-UHFFFAOYSA-N
XLogP2.33
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperidine-1-carbonyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(2,3-dimethylpiperidine-1-carbonyl)cyclobutane-1-carbonitrile (CID 79005828) is 1-(2,3-dimethylpiperidine-1-carbonyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(2,3-dimethylpiperidine-1-carbonyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(2,3-dimethylpiperidine-1-carbonyl)cyclobutane-1-carbonitrile is CC1CCCN(C(=O)C2(C#N)CCC2)C1C.
What is the InChIKey of 1-(2,3-dimethylpiperidine-1-carbonyl)cyclobutane-1-carbonitrile?
The InChIKey is BRHFKGMXFUJUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-5-3-8-15(11(10)2)12(16)13(9-14)6-4-7-13/h10-11H,3-8H2,1-2H3.
What are the key properties of 1-(2,3-dimethylpiperidine-1-carbonyl)cyclobutane-1-carbonitrile?
1-(2,3-dimethylpiperidine-1-carbonyl)cyclobutane-1-carbonitrile has a molecular weight of 220.32 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperidine-1-carbonyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 79005828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).