3-methyl-1-(methylcarbamoyl)-1-(2-piperidin-4-ylphenyl)urea

C15H22N4O2 — CID 141020629

IUPAC3-methyl-1-(methylcarbamoyl)-1-(2-piperidin-4-ylphenyl)urea
SMILESCNC(=O)N(C(=O)NC)c1ccccc1C1CCNCC1
InChIInChI=1S/C15H22N4O2/c1-16-14(20)19(15(21)17-2)13-6-4-3-5-12(13)11-7-9-18-10-8-11/h3-6,11,18H,7-10H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyZHNBLKZSWGIDCO-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.64
Rot. Bonds2

About 3-methyl-1-(methylcarbamoyl)-1-(2-piperidin-4-ylphenyl)urea

3-methyl-1-(methylcarbamoyl)-1-(2-piperidin-4-ylphenyl)urea (PubChem CID 141020629) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-methyl-1-(methylcarbamoyl)-1-(2-piperidin-4-ylphenyl)urea.

Molecular Properties

Compound Name3-methyl-1-(methylcarbamoyl)-1-(2-piperidin-4-ylphenyl)urea
PubChem CID141020629
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-methyl-1-(methylcarbamoyl)-1-(2-piperidin-4-ylphenyl)urea
SMILESCNC(=O)N(C(=O)NC)c1ccccc1C1CCNCC1
InChIInChI=1S/C15H22N4O2/c1-16-14(20)19(15(21)17-2)13-6-4-3-5-12(13)11-7-9-18-10-8-11/h3-6,11,18H,7-10H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyZHNBLKZSWGIDCO-UHFFFAOYSA-N
XLogP1.64
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(methylcarbamoyl)-1-(2-piperidin-4-ylphenyl)urea?
The IUPAC name of 3-methyl-1-(methylcarbamoyl)-1-(2-piperidin-4-ylphenyl)urea (CID 141020629) is 3-methyl-1-(methylcarbamoyl)-1-(2-piperidin-4-ylphenyl)urea.
What is the SMILES notation for 3-methyl-1-(methylcarbamoyl)-1-(2-piperidin-4-ylphenyl)urea?
The canonical SMILES for 3-methyl-1-(methylcarbamoyl)-1-(2-piperidin-4-ylphenyl)urea is CNC(=O)N(C(=O)NC)c1ccccc1C1CCNCC1.
What is the InChIKey of 3-methyl-1-(methylcarbamoyl)-1-(2-piperidin-4-ylphenyl)urea?
The InChIKey is ZHNBLKZSWGIDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-16-14(20)19(15(21)17-2)13-6-4-3-5-12(13)11-7-9-18-10-8-11/h3-6,11,18H,7-10H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of 3-methyl-1-(methylcarbamoyl)-1-(2-piperidin-4-ylphenyl)urea?
3-methyl-1-(methylcarbamoyl)-1-(2-piperidin-4-ylphenyl)urea has a molecular weight of 290.37 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(methylcarbamoyl)-1-(2-piperidin-4-ylphenyl)urea is sourced from PubChem (CID 141020629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).