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

C12H22N2O2 — CID 43610281

IUPAC6-methyl-N-(oxan-4-yl)piperidine-3-carboxamide
SMILESCC1CCC(C(=O)NC2CCOCC2)CN1
InChIInChI=1S/C12H22N2O2/c1-9-2-3-10(8-13-9)12(15)14-11-4-6-16-7-5-11/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyNCQLMRRFGRBQSN-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.67
Rot. Bonds2

About 6-methyl-N-(oxan-4-yl)piperidine-3-carboxamide

6-methyl-N-(oxan-4-yl)piperidine-3-carboxamide (PubChem CID 43610281) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 6-methyl-N-(oxan-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(oxan-4-yl)piperidine-3-carboxamide
PubChem CID43610281
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name6-methyl-N-(oxan-4-yl)piperidine-3-carboxamide
SMILESCC1CCC(C(=O)NC2CCOCC2)CN1
InChIInChI=1S/C12H22N2O2/c1-9-2-3-10(8-13-9)12(15)14-11-4-6-16-7-5-11/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyNCQLMRRFGRBQSN-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 6-methyl-N-(oxan-4-yl)piperidine-3-carboxamide?
The IUPAC name of 6-methyl-N-(oxan-4-yl)piperidine-3-carboxamide (CID 43610281) is 6-methyl-N-(oxan-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(oxan-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(oxan-4-yl)piperidine-3-carboxamide is CC1CCC(C(=O)NC2CCOCC2)CN1.
What is the InChIKey of 6-methyl-N-(oxan-4-yl)piperidine-3-carboxamide?
The InChIKey is NCQLMRRFGRBQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-2-3-10(8-13-9)12(15)14-11-4-6-16-7-5-11/h9-11,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 6-methyl-N-(oxan-4-yl)piperidine-3-carboxamide?
6-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 6-methyl-N-(oxan-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 43610281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).