1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea

C15H24N4O — CID 108897157

IUPAC1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
SMILESCc1ccccc1CNC(=O)NCCN1CCNCC1
InChIInChI=1S/C15H24N4O/c1-13-4-2-3-5-14(13)12-18-15(20)17-8-11-19-9-6-16-7-10-19/h2-5,16H,6-12H2,1H3,(H2,17,18,20)
InChIKeyZAIBFUVDHKIDDI-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.70
Rot. Bonds5

About 1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea

1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea (PubChem CID 108897157) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
PubChem CID108897157
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
SMILESCc1ccccc1CNC(=O)NCCN1CCNCC1
InChIInChI=1S/C15H24N4O/c1-13-4-2-3-5-14(13)12-18-15(20)17-8-11-19-9-6-16-7-10-19/h2-5,16H,6-12H2,1H3,(H2,17,18,20)
InChIKeyZAIBFUVDHKIDDI-UHFFFAOYSA-N
XLogP0.70
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromophenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
CID 108897872
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368
1-[(4-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
CID 108899068
1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108897158
2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 62537843
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108874901
2-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 43600344
1-benzyl-3-(3-piperazin-1-ylpropyl)urea
CID 107653368
1-(3,3-dimethylbutyl)-3-[(2-methylphenyl)methyl]urea
CID 55683695
1-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-3-phenylurea
CID 158434164
N-[2-(2-methylphenyl)ethyl]-2-piperazin-1-ylethanesulfonamide
CID 79756190
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-piperazin-1-ylethyl)urea
CID 108889439

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea?
The IUPAC name of 1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea (CID 108897157) is 1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea is Cc1ccccc1CNC(=O)NCCN1CCNCC1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea?
The InChIKey is ZAIBFUVDHKIDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-13-4-2-3-5-14(13)12-18-15(20)17-8-11-19-9-6-16-7-10-19/h2-5,16H,6-12H2,1H3,(H2,17,18,20).
What are the key properties of 1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea?
1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea has a molecular weight of 276.38 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea is sourced from PubChem (CID 108897157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).