3-(1-methylpiperidine-3-carbonyl)oxetane-3-carbonitrile

C11H16N2O2 — CID 116922348

IUPAC3-(1-methylpiperidine-3-carbonyl)oxetane-3-carbonitrile
SMILESCN1CCCC(C(=O)C2(C#N)COC2)C1
InChIInChI=1S/C11H16N2O2/c1-13-4-2-3-9(5-13)10(14)11(6-12)7-15-8-11/h9H,2-5,7-8H2,1H3
InChIKeyGNHAFZRRTWCILP-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.44
Rot. Bonds2

About 3-(1-methylpiperidine-3-carbonyl)oxetane-3-carbonitrile

3-(1-methylpiperidine-3-carbonyl)oxetane-3-carbonitrile (PubChem CID 116922348) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(1-methylpiperidine-3-carbonyl)oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-(1-methylpiperidine-3-carbonyl)oxetane-3-carbonitrile
PubChem CID116922348
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(1-methylpiperidine-3-carbonyl)oxetane-3-carbonitrile
SMILESCN1CCCC(C(=O)C2(C#N)COC2)C1
InChIInChI=1S/C11H16N2O2/c1-13-4-2-3-9(5-13)10(14)11(6-12)7-15-8-11/h9H,2-5,7-8H2,1H3
InChIKeyGNHAFZRRTWCILP-UHFFFAOYSA-N
XLogP0.44
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidine-3-carbonyl)oxetane-3-carbonitrile?
The IUPAC name of 3-(1-methylpiperidine-3-carbonyl)oxetane-3-carbonitrile (CID 116922348) is 3-(1-methylpiperidine-3-carbonyl)oxetane-3-carbonitrile.
What is the SMILES notation for 3-(1-methylpiperidine-3-carbonyl)oxetane-3-carbonitrile?
The canonical SMILES for 3-(1-methylpiperidine-3-carbonyl)oxetane-3-carbonitrile is CN1CCCC(C(=O)C2(C#N)COC2)C1.
What is the InChIKey of 3-(1-methylpiperidine-3-carbonyl)oxetane-3-carbonitrile?
The InChIKey is GNHAFZRRTWCILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13-4-2-3-9(5-13)10(14)11(6-12)7-15-8-11/h9H,2-5,7-8H2,1H3.
What are the key properties of 3-(1-methylpiperidine-3-carbonyl)oxetane-3-carbonitrile?
3-(1-methylpiperidine-3-carbonyl)oxetane-3-carbonitrile has a molecular weight of 208.26 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidine-3-carbonyl)oxetane-3-carbonitrile is sourced from PubChem (CID 116922348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).