1-methyl-3-(3-methylphenyl)-1-(2-oxo-2-piperazin-1-ylethyl)urea

C15H22N4O2 — CID 43604055

IUPAC1-methyl-3-(3-methylphenyl)-1-(2-oxo-2-piperazin-1-ylethyl)urea
SMILESCc1cccc(NC(=O)N(C)CC(=O)N2CCNCC2)c1
InChIInChI=1S/C15H22N4O2/c1-12-4-3-5-13(10-12)17-15(21)18(2)11-14(20)19-8-6-16-7-9-19/h3-5,10,16H,6-9,11H2,1-2H3,(H,17,21)
InChIKeyPYSDTOWZOLMMPJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.89
Rot. Bonds3

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

1-methyl-3-(3-methylphenyl)-1-(2-oxo-2-piperazin-1-ylethyl)urea (PubChem CID 43604055) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-methyl-3-(3-methylphenyl)-1-(2-oxo-2-piperazin-1-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(3-methylphenyl)-1-(2-oxo-2-piperazin-1-ylethyl)urea
PubChem CID43604055
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-methyl-3-(3-methylphenyl)-1-(2-oxo-2-piperazin-1-ylethyl)urea
SMILESCc1cccc(NC(=O)N(C)CC(=O)N2CCNCC2)c1
InChIInChI=1S/C15H22N4O2/c1-12-4-3-5-13(10-12)17-15(21)18(2)11-14(20)19-8-6-16-7-9-19/h3-5,10,16H,6-9,11H2,1-2H3,(H,17,21)
InChIKeyPYSDTOWZOLMMPJ-UHFFFAOYSA-N
XLogP0.89
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454797
ethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate
CID 47406124
2-[methyl-[1-(3-methylphenyl)ethyl]amino]-1-piperazin-1-ylethanone
CID 61310486
N-(3-fluorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
CID 120980407
N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
CID 120981027
1-(2-amino-2-hydroxyiminoethyl)-1-methyl-3-(3-methylphenyl)urea
CID 76929111
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide
CID 119914970
3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402035
1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea
CID 61350070
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone
CID 61018285
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride
CID 119914969
1-[(4-bromophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 31770987

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylphenyl)-1-(2-oxo-2-piperazin-1-ylethyl)urea?
The IUPAC name of 1-methyl-3-(3-methylphenyl)-1-(2-oxo-2-piperazin-1-ylethyl)urea (CID 43604055) is 1-methyl-3-(3-methylphenyl)-1-(2-oxo-2-piperazin-1-ylethyl)urea.
What is the SMILES notation for 1-methyl-3-(3-methylphenyl)-1-(2-oxo-2-piperazin-1-ylethyl)urea?
The canonical SMILES for 1-methyl-3-(3-methylphenyl)-1-(2-oxo-2-piperazin-1-ylethyl)urea is Cc1cccc(NC(=O)N(C)CC(=O)N2CCNCC2)c1.
What is the InChIKey of 1-methyl-3-(3-methylphenyl)-1-(2-oxo-2-piperazin-1-ylethyl)urea?
The InChIKey is PYSDTOWZOLMMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-12-4-3-5-13(10-12)17-15(21)18(2)11-14(20)19-8-6-16-7-9-19/h3-5,10,16H,6-9,11H2,1-2H3,(H,17,21).
What are the key properties of 1-methyl-3-(3-methylphenyl)-1-(2-oxo-2-piperazin-1-ylethyl)urea?
1-methyl-3-(3-methylphenyl)-1-(2-oxo-2-piperazin-1-ylethyl)urea has a molecular weight of 290.37 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylphenyl)-1-(2-oxo-2-piperazin-1-ylethyl)urea is sourced from PubChem (CID 43604055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).