N-(2,2-diethyloxan-4-yl)-4-methylpiperidine-2-carboxamide

C16H30N2O2 — CID 114424424

IUPACN-(2,2-diethyloxan-4-yl)-4-methylpiperidine-2-carboxamide
SMILESCCC1(CC)CC(NC(=O)C2CC(C)CCN2)CCO1
InChIInChI=1S/C16H30N2O2/c1-4-16(5-2)11-13(7-9-20-16)18-15(19)14-10-12(3)6-8-17-14/h12-14,17H,4-11H2,1-3H3,(H,18,19)
InChIKeyGXULAZSYQYOXHK-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.23
Rot. Bonds4

About N-(2,2-diethyloxan-4-yl)-4-methylpiperidine-2-carboxamide

N-(2,2-diethyloxan-4-yl)-4-methylpiperidine-2-carboxamide (PubChem CID 114424424) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-4-methylpiperidine-2-carboxamide
PubChem CID114424424
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-(2,2-diethyloxan-4-yl)-4-methylpiperidine-2-carboxamide
SMILESCCC1(CC)CC(NC(=O)C2CC(C)CCN2)CCO1
InChIInChI=1S/C16H30N2O2/c1-4-16(5-2)11-13(7-9-20-16)18-15(19)14-10-12(3)6-8-17-14/h12-14,17H,4-11H2,1-3H3,(H,18,19)
InChIKeyGXULAZSYQYOXHK-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-4-methylpiperidine-2-carboxamide (CID 114424424) is N-(2,2-diethyloxan-4-yl)-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-4-methylpiperidine-2-carboxamide is CCC1(CC)CC(NC(=O)C2CC(C)CCN2)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-4-methylpiperidine-2-carboxamide?
The InChIKey is GXULAZSYQYOXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-16(5-2)11-13(7-9-20-16)18-15(19)14-10-12(3)6-8-17-14/h12-14,17H,4-11H2,1-3H3,(H,18,19).
What are the key properties of N-(2,2-diethyloxan-4-yl)-4-methylpiperidine-2-carboxamide?
N-(2,2-diethyloxan-4-yl)-4-methylpiperidine-2-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114424424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).