1-(2-ethylpiperidin-1-yl)-3-methylurea

C9H19N3O — CID 57028176

IUPAC1-(2-ethylpiperidin-1-yl)-3-methylurea
SMILESCCC1CCCCN1NC(=O)NC
InChIInChI=1S/C9H19N3O/c1-3-8-6-4-5-7-12(8)11-9(13)10-2/h8H,3-7H2,1-2H3,(H2,10,11,13)
InChIKeyLQRKSWMNIAFBRV-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.09
Rot. Bonds2

About 1-(2-ethylpiperidin-1-yl)-3-methylurea

1-(2-ethylpiperidin-1-yl)-3-methylurea (PubChem CID 57028176) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-3-methylurea.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-3-methylurea
PubChem CID57028176
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-(2-ethylpiperidin-1-yl)-3-methylurea
SMILESCCC1CCCCN1NC(=O)NC
InChIInChI=1S/C9H19N3O/c1-3-8-6-4-5-7-12(8)11-9(13)10-2/h8H,3-7H2,1-2H3,(H2,10,11,13)
InChIKeyLQRKSWMNIAFBRV-UHFFFAOYSA-N
XLogP1.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-3-methylurea?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-3-methylurea (CID 57028176) is 1-(2-ethylpiperidin-1-yl)-3-methylurea.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-3-methylurea?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-3-methylurea is CCC1CCCCN1NC(=O)NC.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-3-methylurea?
The InChIKey is LQRKSWMNIAFBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-8-6-4-5-7-12(8)11-9(13)10-2/h8H,3-7H2,1-2H3,(H2,10,11,13).
What are the key properties of 1-(2-ethylpiperidin-1-yl)-3-methylurea?
1-(2-ethylpiperidin-1-yl)-3-methylurea has a molecular weight of 185.27 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-3-methylurea is sourced from PubChem (CID 57028176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).