2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide

C13H26N4O2 — CID 63763714

IUPAC2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N1CCCC(CCN)C1
InChIInChI=1S/C13H26N4O2/c1-3-15-13(19)16-12(18)10(2)17-8-4-5-11(9-17)6-7-14/h10-11H,3-9,14H2,1-2H3,(H2,15,16,18,19)
InChIKeyUKPXEPLIRKKWLW-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.28
Rot. Bonds5

About 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide

2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide (PubChem CID 63763714) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
PubChem CID63763714
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N1CCCC(CCN)C1
InChIInChI=1S/C13H26N4O2/c1-3-15-13(19)16-12(18)10(2)17-8-4-5-11(9-17)6-7-14/h10-11H,3-9,14H2,1-2H3,(H2,15,16,18,19)
InChIKeyUKPXEPLIRKKWLW-UHFFFAOYSA-N
XLogP0.28
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide (CID 63763714) is 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)N1CCCC(CCN)C1.
What is the InChIKey of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide?
The InChIKey is UKPXEPLIRKKWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-3-15-13(19)16-12(18)10(2)17-8-4-5-11(9-17)6-7-14/h10-11H,3-9,14H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide?
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide has a molecular weight of 270.38 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 63763714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).