1-(2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)urea

C14H22N4O — CID 24818458

IUPAC1-(2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)urea
SMILESCc1cccc(NC(=O)NN2CCN(C)CC2)c1C
InChIInChI=1S/C14H22N4O/c1-11-5-4-6-13(12(11)2)15-14(19)16-18-9-7-17(3)8-10-18/h4-6H,7-10H2,1-3H3,(H2,15,16,19)
InChIKeyNRYHUHAESNSWTF-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.59
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)urea

1-(2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)urea (PubChem CID 24818458) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)urea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)urea
PubChem CID24818458
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-(2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)urea
SMILESCc1cccc(NC(=O)NN2CCN(C)CC2)c1C
InChIInChI=1S/C14H22N4O/c1-11-5-4-6-13(12(11)2)15-14(19)16-18-9-7-17(3)8-10-18/h4-6H,7-10H2,1-3H3,(H2,15,16,19)
InChIKeyNRYHUHAESNSWTF-UHFFFAOYSA-N
XLogP1.59
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)urea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)urea (CID 24818458) is 1-(2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)urea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)urea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)urea is Cc1cccc(NC(=O)NN2CCN(C)CC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)urea?
The InChIKey is NRYHUHAESNSWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11-5-4-6-13(12(11)2)15-14(19)16-18-9-7-17(3)8-10-18/h4-6H,7-10H2,1-3H3,(H2,15,16,19).
What are the key properties of 1-(2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)urea?
1-(2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)urea has a molecular weight of 262.36 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)urea is sourced from PubChem (CID 24818458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).