3-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide

C12H23N3O2 — CID 64668234

IUPAC3-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide
SMILESCCNC(C)CC(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C12H23N3O2/c1-4-13-9(2)7-11(16)14-10-5-6-12(17)15(3)8-10/h9-10,13H,4-8H2,1-3H3,(H,14,16)
InChIKeyZMFXKTGINLUWPQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.11
Rot. Bonds5

About 3-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide

3-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide (PubChem CID 64668234) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide
PubChem CID64668234
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide
SMILESCCNC(C)CC(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C12H23N3O2/c1-4-13-9(2)7-11(16)14-10-5-6-12(17)15(3)8-10/h9-10,13H,4-8H2,1-3H3,(H,14,16)
InChIKeyZMFXKTGINLUWPQ-UHFFFAOYSA-N
XLogP0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide?
The IUPAC name of 3-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide (CID 64668234) is 3-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide.
What is the SMILES notation for 3-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide?
The canonical SMILES for 3-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide is CCNC(C)CC(=O)NC1CCC(=O)N(C)C1.
What is the InChIKey of 3-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide?
The InChIKey is ZMFXKTGINLUWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-13-9(2)7-11(16)14-10-5-6-12(17)15(3)8-10/h9-10,13H,4-8H2,1-3H3,(H,14,16).
What are the key properties of 3-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide?
3-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide has a molecular weight of 241.33 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide is sourced from PubChem (CID 64668234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).