1-ethyl-3-(2-ethylpiperidin-1-yl)urea

C10H21N3O — CID 57128033

IUPAC1-ethyl-3-(2-ethylpiperidin-1-yl)urea
SMILESCCNC(=O)NN1CCCCC1CC
InChIInChI=1S/C10H21N3O/c1-3-9-7-5-6-8-13(9)12-10(14)11-4-2/h9H,3-8H2,1-2H3,(H2,11,12,14)
InChIKeyAZPWLVKNEQYBDP-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.49
Rot. Bonds3

About 1-ethyl-3-(2-ethylpiperidin-1-yl)urea

1-ethyl-3-(2-ethylpiperidin-1-yl)urea (PubChem CID 57128033) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-ethyl-3-(2-ethylpiperidin-1-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(2-ethylpiperidin-1-yl)urea
PubChem CID57128033
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-ethyl-3-(2-ethylpiperidin-1-yl)urea
SMILESCCNC(=O)NN1CCCCC1CC
InChIInChI=1S/C10H21N3O/c1-3-9-7-5-6-8-13(9)12-10(14)11-4-2/h9H,3-8H2,1-2H3,(H2,11,12,14)
InChIKeyAZPWLVKNEQYBDP-UHFFFAOYSA-N
XLogP1.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-3-(2-ethylpiperidin-1-yl)urea 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 1-ethyl-3-(2-ethylpiperidin-1-yl)urea?
The IUPAC name of 1-ethyl-3-(2-ethylpiperidin-1-yl)urea (CID 57128033) is 1-ethyl-3-(2-ethylpiperidin-1-yl)urea.
What is the SMILES notation for 1-ethyl-3-(2-ethylpiperidin-1-yl)urea?
The canonical SMILES for 1-ethyl-3-(2-ethylpiperidin-1-yl)urea is CCNC(=O)NN1CCCCC1CC.
What is the InChIKey of 1-ethyl-3-(2-ethylpiperidin-1-yl)urea?
The InChIKey is AZPWLVKNEQYBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-9-7-5-6-8-13(9)12-10(14)11-4-2/h9H,3-8H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-ethyl-3-(2-ethylpiperidin-1-yl)urea?
1-ethyl-3-(2-ethylpiperidin-1-yl)urea has a molecular weight of 199.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-ethylpiperidin-1-yl)urea is sourced from PubChem (CID 57128033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).