1,3-dimethyl-1-(1-methylpiperidin-4-yl)urea

C9H19N3O — CID 54043995

IUPAC1,3-dimethyl-1-(1-methylpiperidin-4-yl)urea
SMILESCNC(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C9H19N3O/c1-10-9(13)12(3)8-4-6-11(2)7-5-8/h8H,4-7H2,1-3H3,(H,10,13)
InChIKeyLOGWQCJWHUXAKI-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.35
Rot. Bonds1

About 1,3-dimethyl-1-(1-methylpiperidin-4-yl)urea

1,3-dimethyl-1-(1-methylpiperidin-4-yl)urea (PubChem CID 54043995) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1,3-dimethyl-1-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1,3-dimethyl-1-(1-methylpiperidin-4-yl)urea
PubChem CID54043995
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1,3-dimethyl-1-(1-methylpiperidin-4-yl)urea
SMILESCNC(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C9H19N3O/c1-10-9(13)12(3)8-4-6-11(2)7-5-8/h8H,4-7H2,1-3H3,(H,10,13)
InChIKeyLOGWQCJWHUXAKI-UHFFFAOYSA-N
XLogP0.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1,3-dimethyl-1-(1-methylpiperidin-4-yl)urea (CID 54043995) is 1,3-dimethyl-1-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1,3-dimethyl-1-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1,3-dimethyl-1-(1-methylpiperidin-4-yl)urea is CNC(=O)N(C)C1CCN(C)CC1.
What is the InChIKey of 1,3-dimethyl-1-(1-methylpiperidin-4-yl)urea?
The InChIKey is LOGWQCJWHUXAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-10-9(13)12(3)8-4-6-11(2)7-5-8/h8H,4-7H2,1-3H3,(H,10,13).
What are the key properties of 1,3-dimethyl-1-(1-methylpiperidin-4-yl)urea?
1,3-dimethyl-1-(1-methylpiperidin-4-yl)urea has a molecular weight of 185.27 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 54043995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).