N-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide

C12H22N2O2 — CID 114508729

IUPACN-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide
SMILESCCC1CN(CC(=O)N(C)CC)CCC1=O
InChIInChI=1S/C12H22N2O2/c1-4-10-8-14(7-6-11(10)15)9-12(16)13(3)5-2/h10H,4-9H2,1-3H3
InChIKeyGCNHTPYWXUVLFW-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.77
Rot. Bonds4

About N-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide

N-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide (PubChem CID 114508729) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide
PubChem CID114508729
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide
SMILESCCC1CN(CC(=O)N(C)CC)CCC1=O
InChIInChI=1S/C12H22N2O2/c1-4-10-8-14(7-6-11(10)15)9-12(16)13(3)5-2/h10H,4-9H2,1-3H3
InChIKeyGCNHTPYWXUVLFW-UHFFFAOYSA-N
XLogP0.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-2-(4-oxopiperidin-1-yl)acetamide
CID 43309728
3-ethyl-1-(2-oxopentyl)piperidin-4-one
CID 114509766
methyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
CID 114509007
2-(3-ethyl-4-oxopiperidin-1-yl)-N-pentan-3-ylacetamide
CID 114509023
3-ethyl-1-(2-hydroxyethyl)piperidin-4-one
CID 114508617
3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid
CID 114509620
N-cyclopentyl-2-(3-ethyl-4-oxopiperidin-1-yl)acetamide
CID 114508966
butyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
CID 114508947
3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one
CID 114509764
N-ethyl-2-(3-ethyl-4-hydroxypiperidin-1-yl)-N-methylacetamide
CID 114510921
3-ethyl-1-(2-hydroxybutyl)piperidin-4-one
CID 114508808
3-(3-ethyl-4-oxopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 114509649

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide?
The IUPAC name of N-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide (CID 114508729) is N-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide is CCC1CN(CC(=O)N(C)CC)CCC1=O.
What is the InChIKey of N-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide?
The InChIKey is GCNHTPYWXUVLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-10-8-14(7-6-11(10)15)9-12(16)13(3)5-2/h10H,4-9H2,1-3H3.
What are the key properties of N-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide?
N-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide has a molecular weight of 226.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 114508729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).