1-indol-1-yl-1-(1-methylpiperidin-3-yl)urea

C15H20N4O — CID 174577552

IUPAC1-indol-1-yl-1-(1-methylpiperidin-3-yl)urea
SMILESCN1CCCC(N(C(N)=O)n2ccc3ccccc32)C1
InChIInChI=1S/C15H20N4O/c1-17-9-4-6-13(11-17)19(15(16)20)18-10-8-12-5-2-3-7-14(12)18/h2-3,5,7-8,10,13H,4,6,9,11H2,1H3,(H2,16,20)
InChIKeyBBGSMUKRIXQUBG-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.75
Rot. Bonds2

About 1-indol-1-yl-1-(1-methylpiperidin-3-yl)urea

1-indol-1-yl-1-(1-methylpiperidin-3-yl)urea (PubChem CID 174577552) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-indol-1-yl-1-(1-methylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-indol-1-yl-1-(1-methylpiperidin-3-yl)urea
PubChem CID174577552
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-indol-1-yl-1-(1-methylpiperidin-3-yl)urea
SMILESCN1CCCC(N(C(N)=O)n2ccc3ccccc32)C1
InChIInChI=1S/C15H20N4O/c1-17-9-4-6-13(11-17)19(15(16)20)18-10-8-12-5-2-3-7-14(12)18/h2-3,5,7-8,10,13H,4,6,9,11H2,1H3,(H2,16,20)
InChIKeyBBGSMUKRIXQUBG-UHFFFAOYSA-N
XLogP1.75
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-indol-1-yl-1-(1-methylpiperidin-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-indol-1-yl-1-(1-methylpiperidin-3-yl)urea?
The IUPAC name of 1-indol-1-yl-1-(1-methylpiperidin-3-yl)urea (CID 174577552) is 1-indol-1-yl-1-(1-methylpiperidin-3-yl)urea.
What is the SMILES notation for 1-indol-1-yl-1-(1-methylpiperidin-3-yl)urea?
The canonical SMILES for 1-indol-1-yl-1-(1-methylpiperidin-3-yl)urea is CN1CCCC(N(C(N)=O)n2ccc3ccccc32)C1.
What is the InChIKey of 1-indol-1-yl-1-(1-methylpiperidin-3-yl)urea?
The InChIKey is BBGSMUKRIXQUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-17-9-4-6-13(11-17)19(15(16)20)18-10-8-12-5-2-3-7-14(12)18/h2-3,5,7-8,10,13H,4,6,9,11H2,1H3,(H2,16,20).
What are the key properties of 1-indol-1-yl-1-(1-methylpiperidin-3-yl)urea?
1-indol-1-yl-1-(1-methylpiperidin-3-yl)urea has a molecular weight of 272.35 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indol-1-yl-1-(1-methylpiperidin-3-yl)urea is sourced from PubChem (CID 174577552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).