(3-ethylpiperidin-4-yl)urea

C8H17N3O — CID 122589818

IUPAC(3-ethylpiperidin-4-yl)urea
SMILESCCC1CNCCC1NC(N)=O
InChIInChI=1S/C8H17N3O/c1-2-6-5-10-4-3-7(6)11-8(9)12/h6-7,10H,2-5H2,1H3,(H3,9,11,12)
InChIKeyOWNCQJQNOYNQJH-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.04
Rot. Bonds2

About (3-ethylpiperidin-4-yl)urea

(3-ethylpiperidin-4-yl)urea (PubChem CID 122589818) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is (3-ethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name(3-ethylpiperidin-4-yl)urea
PubChem CID122589818
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name(3-ethylpiperidin-4-yl)urea
SMILESCCC1CNCCC1NC(N)=O
InChIInChI=1S/C8H17N3O/c1-2-6-5-10-4-3-7(6)11-8(9)12/h6-7,10H,2-5H2,1H3,(H3,9,11,12)
InChIKeyOWNCQJQNOYNQJH-UHFFFAOYSA-N
XLogP0.04
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-ethylpiperidin-4-yl)urea?
The IUPAC name of (3-ethylpiperidin-4-yl)urea (CID 122589818) is (3-ethylpiperidin-4-yl)urea.
What is the SMILES notation for (3-ethylpiperidin-4-yl)urea?
The canonical SMILES for (3-ethylpiperidin-4-yl)urea is CCC1CNCCC1NC(N)=O.
What is the InChIKey of (3-ethylpiperidin-4-yl)urea?
The InChIKey is OWNCQJQNOYNQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-2-6-5-10-4-3-7(6)11-8(9)12/h6-7,10H,2-5H2,1H3,(H3,9,11,12).
What are the key properties of (3-ethylpiperidin-4-yl)urea?
(3-ethylpiperidin-4-yl)urea has a molecular weight of 171.24 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpiperidin-4-yl)urea is sourced from PubChem (CID 122589818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).