N-ethyl-N-methyl-2-[2-(2-oxocyclohexyl)piperidin-1-yl]acetamide

C16H28N2O2 — CID 79553575

IUPACN-ethyl-N-methyl-2-[2-(2-oxocyclohexyl)piperidin-1-yl]acetamide
SMILESCCN(C)C(=O)CN1CCCCC1C1CCCCC1=O
InChIInChI=1S/C16H28N2O2/c1-3-17(2)16(20)12-18-11-7-6-9-14(18)13-8-4-5-10-15(13)19/h13-14H,3-12H2,1-2H3
InChIKeyXYZQOBUPTXFIPO-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.08
Rot. Bonds4

About N-ethyl-N-methyl-2-[2-(2-oxocyclohexyl)piperidin-1-yl]acetamide

N-ethyl-N-methyl-2-[2-(2-oxocyclohexyl)piperidin-1-yl]acetamide (PubChem CID 79553575) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[2-(2-oxocyclohexyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[2-(2-oxocyclohexyl)piperidin-1-yl]acetamide
PubChem CID79553575
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-ethyl-N-methyl-2-[2-(2-oxocyclohexyl)piperidin-1-yl]acetamide
SMILESCCN(C)C(=O)CN1CCCCC1C1CCCCC1=O
InChIInChI=1S/C16H28N2O2/c1-3-17(2)16(20)12-18-11-7-6-9-14(18)13-8-4-5-10-15(13)19/h13-14H,3-12H2,1-2H3
InChIKeyXYZQOBUPTXFIPO-UHFFFAOYSA-N
XLogP2.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[2-(2-oxocyclohexyl)piperidin-1-yl]acetamide?
The IUPAC name of N-ethyl-N-methyl-2-[2-(2-oxocyclohexyl)piperidin-1-yl]acetamide (CID 79553575) is N-ethyl-N-methyl-2-[2-(2-oxocyclohexyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[2-(2-oxocyclohexyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-[2-(2-oxocyclohexyl)piperidin-1-yl]acetamide is CCN(C)C(=O)CN1CCCCC1C1CCCCC1=O.
What is the InChIKey of N-ethyl-N-methyl-2-[2-(2-oxocyclohexyl)piperidin-1-yl]acetamide?
The InChIKey is XYZQOBUPTXFIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-17(2)16(20)12-18-11-7-6-9-14(18)13-8-4-5-10-15(13)19/h13-14H,3-12H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-2-[2-(2-oxocyclohexyl)piperidin-1-yl]acetamide?
N-ethyl-N-methyl-2-[2-(2-oxocyclohexyl)piperidin-1-yl]acetamide has a molecular weight of 280.41 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[2-(2-oxocyclohexyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 79553575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).