3-(1-methylpiperidine-4-carbonyl)oxetane-3-carbonitrile

Name: 3-(1-methylpiperidine-4-carbonyl)oxetane-3-carbonitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₆N₂O₂ — CID 116922347

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-(1-methylpiperidine-4-carbonyl)oxetane-3-carbonitrile

SMILESCN1CCC(C(=O)C2(C#N)COC2)CC1

InChIInChI=1S/C11H16N2O2/c1-13-4-2-9(3-5-13)10(14)11(6-12)7-15-8-11/h9H,2-5,7-8H2,1H3

InChIKeyRIMWNKDNLIWZCP-UHFFFAOYSA-N

MW208.26 g/mol

LogP0.44

Rot. Bonds2

About 3-(1-methylpiperidine-4-carbonyl)oxetane-3-carbonitrile

3-(1-methylpiperidine-4-carbonyl)oxetane-3-carbonitrile (PubChem CID 116922347) has the molecular formula C₁₁H₁₆N₂O₂ and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(1-methylpiperidine-4-carbonyl)oxetane-3-carbonitrile.

Molecular Properties

Compound Name	3-(1-methylpiperidine-4-carbonyl)oxetane-3-carbonitrile
PubChem CID	116922347
Molecular Formula	C₁₁H₁₆N₂O₂
Molecular Weight	208.26 g/mol
Exact Mass	208.12
IUPAC Name	3-(1-methylpiperidine-4-carbonyl)oxetane-3-carbonitrile
SMILES	CN1CCC(C(=O)C2(C#N)COC2)CC1
InChI	InChI=1S/C11H16N2O2/c1-13-4-2-9(3-5-13)10(14)11(6-12)7-15-8-11/h9H,2-5,7-8H2,1H3
InChIKey	RIMWNKDNLIWZCP-UHFFFAOYSA-N
XLogP	0.44
TPSA	53.33 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	208.26
LogP ≤ 5	0.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidine-4-carbonyl)oxetane-3-carbonitrile?

The IUPAC name of 3-(1-methylpiperidine-4-carbonyl)oxetane-3-carbonitrile (CID 116922347) is 3-(1-methylpiperidine-4-carbonyl)oxetane-3-carbonitrile.

What is the SMILES notation for 3-(1-methylpiperidine-4-carbonyl)oxetane-3-carbonitrile?

The canonical SMILES for 3-(1-methylpiperidine-4-carbonyl)oxetane-3-carbonitrile is CN1CCC(C(=O)C2(C#N)COC2)CC1.

What is the InChIKey of 3-(1-methylpiperidine-4-carbonyl)oxetane-3-carbonitrile?

The InChIKey is RIMWNKDNLIWZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13-4-2-9(3-5-13)10(14)11(6-12)7-15-8-11/h9H,2-5,7-8H2,1H3.

What are the key properties of 3-(1-methylpiperidine-4-carbonyl)oxetane-3-carbonitrile?

3-(1-methylpiperidine-4-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-4-carbonyl)oxetane-3-carbonitrile is sourced from PubChem (CID 116922347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 116922347 — identifiers, structure, computed properties (public domain)

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