1-(2,6-dimethylpiperidin-1-yl)-1-propylurea

C11H23N3O — CID 57163620

IUPAC1-(2,6-dimethylpiperidin-1-yl)-1-propylurea
SMILESCCCN(C(N)=O)N1C(C)CCCC1C
InChIInChI=1S/C11H23N3O/c1-4-8-13(11(12)15)14-9(2)6-5-7-10(14)3/h9-10H,4-8H2,1-3H3,(H2,12,15)
InChIKeyGGOVAPSVSKQUOH-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.96
Rot. Bonds3

About 1-(2,6-dimethylpiperidin-1-yl)-1-propylurea

1-(2,6-dimethylpiperidin-1-yl)-1-propylurea (PubChem CID 57163620) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-1-propylurea.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-1-propylurea
PubChem CID57163620
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-1-propylurea
SMILESCCCN(C(N)=O)N1C(C)CCCC1C
InChIInChI=1S/C11H23N3O/c1-4-8-13(11(12)15)14-9(2)6-5-7-10(14)3/h9-10H,4-8H2,1-3H3,(H2,12,15)
InChIKeyGGOVAPSVSKQUOH-UHFFFAOYSA-N
XLogP1.96
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-1-propylurea?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-1-propylurea (CID 57163620) is 1-(2,6-dimethylpiperidin-1-yl)-1-propylurea.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-1-propylurea?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-1-propylurea is CCCN(C(N)=O)N1C(C)CCCC1C.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-1-propylurea?
The InChIKey is GGOVAPSVSKQUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-8-13(11(12)15)14-9(2)6-5-7-10(14)3/h9-10H,4-8H2,1-3H3,(H2,12,15).
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-1-propylurea?
1-(2,6-dimethylpiperidin-1-yl)-1-propylurea has a molecular weight of 213.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-1-propylurea is sourced from PubChem (CID 57163620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).