1-[2-(4-bromophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea

C15H23BrN4O — CID 108902319

IUPAC1-[2-(4-bromophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
SMILESO=C(NCCc1ccc(Br)cc1)NCCN1CCNCC1
InChIInChI=1S/C15H23BrN4O/c16-14-3-1-13(2-4-14)5-6-18-15(21)19-9-12-20-10-7-17-8-11-20/h1-4,17H,5-12H2,(H2,18,19,21)
InChIKeyGROCUWBFLXEPFU-UHFFFAOYSA-N
MW355.28 g/mol
LogP1.20
Rot. Bonds6

About 1-[2-(4-bromophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea

1-[2-(4-bromophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea (PubChem CID 108902319) has the molecular formula C15H23BrN4O and a molecular weight of 355.28 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
PubChem CID108902319
Molecular FormulaC15H23BrN4O
Molecular Weight355.28 g/mol
Exact Mass354.11
IUPAC Name1-[2-(4-bromophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
SMILESO=C(NCCc1ccc(Br)cc1)NCCN1CCNCC1
InChIInChI=1S/C15H23BrN4O/c16-14-3-1-13(2-4-14)5-6-18-15(21)19-9-12-20-10-7-17-8-11-20/h1-4,17H,5-12H2,(H2,18,19,21)
InChIKeyGROCUWBFLXEPFU-UHFFFAOYSA-N
XLogP1.20
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-(2-piperazin-1-ylethyl)urea
CID 108869242
1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108901401
1-[(4-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
CID 108899068
1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108900946
1-[(2-bromophenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
CID 108897872
2-(4-bromophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119449060
N-[2-(4-bromophenyl)ethyl]piperidine-4-carboxamide
CID 82135396
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108874901
N-[2-(4-bromophenyl)ethyl]-4-methylpiperazine-1-carboxamide
CID 108902313
1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
CID 108912711
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119260061
1-[(2-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
CID 108897157

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea?
The IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea (CID 108902319) is 1-[2-(4-bromophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea.
What is the SMILES notation for 1-[2-(4-bromophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea?
The canonical SMILES for 1-[2-(4-bromophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea is O=C(NCCc1ccc(Br)cc1)NCCN1CCNCC1.
What is the InChIKey of 1-[2-(4-bromophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea?
The InChIKey is GROCUWBFLXEPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O/c16-14-3-1-13(2-4-14)5-6-18-15(21)19-9-12-20-10-7-17-8-11-20/h1-4,17H,5-12H2,(H2,18,19,21).
What are the key properties of 1-[2-(4-bromophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea?
1-[2-(4-bromophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea has a molecular weight of 355.28 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea is sourced from PubChem (CID 108902319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).