1-(2,5-dimethylphenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea

C14H21N3O2 — CID 118786851

IUPAC1-(2,5-dimethylphenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea
SMILESCc1ccc(C)c(NC(=O)N[C@@H]2CNCC[C@H]2O)c1
InChIInChI=1S/C14H21N3O2/c1-9-3-4-10(2)11(7-9)16-14(19)17-12-8-15-6-5-13(12)18/h3-4,7,12-13,15,18H,5-6,8H2,1-2H3,(H2,16,17,19)/t12-,13-/m1/s1
InChIKeyNMQWYWLRNYOMIS-CHWSQXEVSA-N
MW263.34 g/mol
LogP1.15
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea

1-(2,5-dimethylphenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea (PubChem CID 118786851) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea
PubChem CID118786851
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(2,5-dimethylphenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea
SMILESCc1ccc(C)c(NC(=O)N[C@@H]2CNCC[C@H]2O)c1
InChIInChI=1S/C14H21N3O2/c1-9-3-4-10(2)11(7-9)16-14(19)17-12-8-15-6-5-13(12)18/h3-4,7,12-13,15,18H,5-6,8H2,1-2H3,(H2,16,17,19)/t12-,13-/m1/s1
InChIKeyNMQWYWLRNYOMIS-CHWSQXEVSA-N
XLogP1.15
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea (CID 118786851) is 1-(2,5-dimethylphenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea is Cc1ccc(C)c(NC(=O)N[C@@H]2CNCC[C@H]2O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea?
The InChIKey is NMQWYWLRNYOMIS-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-3-4-10(2)11(7-9)16-14(19)17-12-8-15-6-5-13(12)18/h3-4,7,12-13,15,18H,5-6,8H2,1-2H3,(H2,16,17,19)/t12-,13-/m1/s1.
What are the key properties of 1-(2,5-dimethylphenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea?
1-(2,5-dimethylphenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea has a molecular weight of 263.34 g/mol, XLogP of 1.15, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[(3R,4R)-4-hydroxypiperidin-3-yl]urea is sourced from PubChem (CID 118786851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).