4-(3-ethoxypiperidin-1-yl)-2-(ethylamino)butanamide

C13H27N3O2 — CID 55145091

IUPAC4-(3-ethoxypiperidin-1-yl)-2-(ethylamino)butanamide
SMILESCCNC(CCN1CCCC(OCC)C1)C(N)=O
InChIInChI=1S/C13H27N3O2/c1-3-15-12(13(14)17)7-9-16-8-5-6-11(10-16)18-4-2/h11-12,15H,3-10H2,1-2H3,(H2,14,17)
InChIKeyOAFBKGQAWBZHGA-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.34
Rot. Bonds8

About 4-(3-ethoxypiperidin-1-yl)-2-(ethylamino)butanamide

4-(3-ethoxypiperidin-1-yl)-2-(ethylamino)butanamide (PubChem CID 55145091) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-(3-ethoxypiperidin-1-yl)-2-(ethylamino)butanamide.

Molecular Properties

Compound Name4-(3-ethoxypiperidin-1-yl)-2-(ethylamino)butanamide
PubChem CID55145091
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name4-(3-ethoxypiperidin-1-yl)-2-(ethylamino)butanamide
SMILESCCNC(CCN1CCCC(OCC)C1)C(N)=O
InChIInChI=1S/C13H27N3O2/c1-3-15-12(13(14)17)7-9-16-8-5-6-11(10-16)18-4-2/h11-12,15H,3-10H2,1-2H3,(H2,14,17)
InChIKeyOAFBKGQAWBZHGA-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypiperidin-1-yl)-2-(ethylamino)butanamide?
The IUPAC name of 4-(3-ethoxypiperidin-1-yl)-2-(ethylamino)butanamide (CID 55145091) is 4-(3-ethoxypiperidin-1-yl)-2-(ethylamino)butanamide.
What is the SMILES notation for 4-(3-ethoxypiperidin-1-yl)-2-(ethylamino)butanamide?
The canonical SMILES for 4-(3-ethoxypiperidin-1-yl)-2-(ethylamino)butanamide is CCNC(CCN1CCCC(OCC)C1)C(N)=O.
What is the InChIKey of 4-(3-ethoxypiperidin-1-yl)-2-(ethylamino)butanamide?
The InChIKey is OAFBKGQAWBZHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-3-15-12(13(14)17)7-9-16-8-5-6-11(10-16)18-4-2/h11-12,15H,3-10H2,1-2H3,(H2,14,17).
What are the key properties of 4-(3-ethoxypiperidin-1-yl)-2-(ethylamino)butanamide?
4-(3-ethoxypiperidin-1-yl)-2-(ethylamino)butanamide has a molecular weight of 257.38 g/mol, XLogP of 0.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypiperidin-1-yl)-2-(ethylamino)butanamide is sourced from PubChem (CID 55145091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).