3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide

C12H22N2O2 — CID 63130240

IUPAC3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide
SMILESCC1(C(=O)NC2CCOCC2)CCCNC1
InChIInChI=1S/C12H22N2O2/c1-12(5-2-6-13-9-12)11(15)14-10-3-7-16-8-4-10/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyLTZLDZSXEMIIFL-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.67
Rot. Bonds2

About 3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide

3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide (PubChem CID 63130240) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide
PubChem CID63130240
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide
SMILESCC1(C(=O)NC2CCOCC2)CCCNC1
InChIInChI=1S/C12H22N2O2/c1-12(5-2-6-13-9-12)11(15)14-10-3-7-16-8-4-10/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyLTZLDZSXEMIIFL-UHFFFAOYSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide (CID 63130240) is 3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide is CC1(C(=O)NC2CCOCC2)CCCNC1.
What is the InChIKey of 3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide?
The InChIKey is LTZLDZSXEMIIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(5-2-6-13-9-12)11(15)14-10-3-7-16-8-4-10/h10,13H,2-9H2,1H3,(H,14,15).
What are the key properties of 3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide?
3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 63130240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).