1-ethyl-1-methyl-3-(6-oxopiperidin-3-yl)urea

C9H17N3O2 — CID 78917410

IUPAC1-ethyl-1-methyl-3-(6-oxopiperidin-3-yl)urea
SMILESCCN(C)C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C9H17N3O2/c1-3-12(2)9(14)11-7-4-5-8(13)10-6-7/h7H,3-6H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyAIKXZRXKAZFKHM-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.07
Rot. Bonds2

About 1-ethyl-1-methyl-3-(6-oxopiperidin-3-yl)urea

1-ethyl-1-methyl-3-(6-oxopiperidin-3-yl)urea (PubChem CID 78917410) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-(6-oxopiperidin-3-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-(6-oxopiperidin-3-yl)urea
PubChem CID78917410
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name1-ethyl-1-methyl-3-(6-oxopiperidin-3-yl)urea
SMILESCCN(C)C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C9H17N3O2/c1-3-12(2)9(14)11-7-4-5-8(13)10-6-7/h7H,3-6H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyAIKXZRXKAZFKHM-UHFFFAOYSA-N
XLogP-0.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-(6-oxopiperidin-3-yl)urea?
The IUPAC name of 1-ethyl-1-methyl-3-(6-oxopiperidin-3-yl)urea (CID 78917410) is 1-ethyl-1-methyl-3-(6-oxopiperidin-3-yl)urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-(6-oxopiperidin-3-yl)urea?
The canonical SMILES for 1-ethyl-1-methyl-3-(6-oxopiperidin-3-yl)urea is CCN(C)C(=O)NC1CCC(=O)NC1.
What is the InChIKey of 1-ethyl-1-methyl-3-(6-oxopiperidin-3-yl)urea?
The InChIKey is AIKXZRXKAZFKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-3-12(2)9(14)11-7-4-5-8(13)10-6-7/h7H,3-6H2,1-2H3,(H,10,13)(H,11,14).
What are the key properties of 1-ethyl-1-methyl-3-(6-oxopiperidin-3-yl)urea?
1-ethyl-1-methyl-3-(6-oxopiperidin-3-yl)urea has a molecular weight of 199.25 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-(6-oxopiperidin-3-yl)urea is sourced from PubChem (CID 78917410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).