4-methyl-N-(oxan-4-ylidenemethyl)piperidine-1-carboxamide

C13H22N2O2 — CID 108913096

IUPAC4-methyl-N-(oxan-4-ylidenemethyl)piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC=C2CCOCC2)CC1
InChIInChI=1S/C13H22N2O2/c1-11-2-6-15(7-3-11)13(16)14-10-12-4-8-17-9-5-12/h10-11H,2-9H2,1H3,(H,14,16)
InChIKeyANYKFHRFQXZZGF-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.12
Rot. Bonds1

About 4-methyl-N-(oxan-4-ylidenemethyl)piperidine-1-carboxamide

4-methyl-N-(oxan-4-ylidenemethyl)piperidine-1-carboxamide (PubChem CID 108913096) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-methyl-N-(oxan-4-ylidenemethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(oxan-4-ylidenemethyl)piperidine-1-carboxamide
PubChem CID108913096
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-methyl-N-(oxan-4-ylidenemethyl)piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC=C2CCOCC2)CC1
InChIInChI=1S/C13H22N2O2/c1-11-2-6-15(7-3-11)13(16)14-10-12-4-8-17-9-5-12/h10-11H,2-9H2,1H3,(H,14,16)
InChIKeyANYKFHRFQXZZGF-UHFFFAOYSA-N
XLogP2.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxan-4-ylidenemethyl)piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-(oxan-4-ylidenemethyl)piperidine-1-carboxamide (CID 108913096) is 4-methyl-N-(oxan-4-ylidenemethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(oxan-4-ylidenemethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(oxan-4-ylidenemethyl)piperidine-1-carboxamide is CC1CCN(C(=O)NC=C2CCOCC2)CC1.
What is the InChIKey of 4-methyl-N-(oxan-4-ylidenemethyl)piperidine-1-carboxamide?
The InChIKey is ANYKFHRFQXZZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11-2-6-15(7-3-11)13(16)14-10-12-4-8-17-9-5-12/h10-11H,2-9H2,1H3,(H,14,16).
What are the key properties of 4-methyl-N-(oxan-4-ylidenemethyl)piperidine-1-carboxamide?
4-methyl-N-(oxan-4-ylidenemethyl)piperidine-1-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxan-4-ylidenemethyl)piperidine-1-carboxamide is sourced from PubChem (CID 108913096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).