1,1-dimethyl-3-(6-oxopiperidin-3-yl)urea

C8H15N3O2 — CID 78916658

IUPAC1,1-dimethyl-3-(6-oxopiperidin-3-yl)urea
SMILESCN(C)C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C8H15N3O2/c1-11(2)8(13)10-6-3-4-7(12)9-5-6/h6H,3-5H2,1-2H3,(H,9,12)(H,10,13)
InChIKeyQWVZNQIJBLMWFJ-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.46
Rot. Bonds1

About 1,1-dimethyl-3-(6-oxopiperidin-3-yl)urea

1,1-dimethyl-3-(6-oxopiperidin-3-yl)urea (PubChem CID 78916658) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1,1-dimethyl-3-(6-oxopiperidin-3-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(6-oxopiperidin-3-yl)urea
PubChem CID78916658
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1,1-dimethyl-3-(6-oxopiperidin-3-yl)urea
SMILESCN(C)C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C8H15N3O2/c1-11(2)8(13)10-6-3-4-7(12)9-5-6/h6H,3-5H2,1-2H3,(H,9,12)(H,10,13)
InChIKeyQWVZNQIJBLMWFJ-UHFFFAOYSA-N
XLogP-0.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(6-oxopiperidin-3-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(6-oxopiperidin-3-yl)urea (CID 78916658) is 1,1-dimethyl-3-(6-oxopiperidin-3-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(6-oxopiperidin-3-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(6-oxopiperidin-3-yl)urea is CN(C)C(=O)NC1CCC(=O)NC1.
What is the InChIKey of 1,1-dimethyl-3-(6-oxopiperidin-3-yl)urea?
The InChIKey is QWVZNQIJBLMWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-11(2)8(13)10-6-3-4-7(12)9-5-6/h6H,3-5H2,1-2H3,(H,9,12)(H,10,13).
What are the key properties of 1,1-dimethyl-3-(6-oxopiperidin-3-yl)urea?
1,1-dimethyl-3-(6-oxopiperidin-3-yl)urea has a molecular weight of 185.23 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(6-oxopiperidin-3-yl)urea is sourced from PubChem (CID 78916658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).