methyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate

C15H20BrN3O3 — CID 49132987

IUPACmethyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)NCCc2ccccc2Br)CC1
InChIInChI=1S/C15H20BrN3O3/c1-22-15(21)19-10-8-18(9-11-19)14(20)17-7-6-12-4-2-3-5-13(12)16/h2-5H,6-11H2,1H3,(H,17,20)
InChIKeyJPIZCGVMPWTOJE-UHFFFAOYSA-N
MW370.25 g/mol
LogP2.09
Rot. Bonds3

About methyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate

methyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate (PubChem CID 49132987) has the molecular formula C15H20BrN3O3 and a molecular weight of 370.25 g/mol. Its IUPAC name is methyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate
PubChem CID49132987
Molecular FormulaC15H20BrN3O3
Molecular Weight370.25 g/mol
Exact Mass369.07
IUPAC Namemethyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)NCCc2ccccc2Br)CC1
InChIInChI=1S/C15H20BrN3O3/c1-22-15(21)19-10-8-18(9-11-19)14(20)17-7-6-12-4-2-3-5-13(12)16/h2-5H,6-11H2,1H3,(H,17,20)
InChIKeyJPIZCGVMPWTOJE-UHFFFAOYSA-N
XLogP2.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 49132871
4-(2-aminoethyl)-N-[2-(2-bromophenyl)ethyl]piperazine-1-carboxamide
CID 108900519
ethyl 1-[2-(2-bromophenyl)ethylcarbamoyl]piperidine-4-carboxylate
CID 48964132
N-[2-(2-bromophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 48964145
ethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 38151040
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
methyl 4-[2-(2-bromophenyl)ethylamino]-4-oxobutanoate
CID 115174690
tert-butyl 4-[(2-bromophenyl)methylcarbamoyl]piperazine-1-carboxylate
CID 54156094
N-[2-(2-bromophenyl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 86788748
tert-butyl 4-[2-(2-chlorophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 108900441
4-acetyl-N-[2-(2-bromophenoxy)ethyl]piperazine-1-carboxamide
CID 112971029
N-[2-(2-bromophenyl)ethyl]-2-methylpiperidine-1-carboxamide
CID 48964058

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate (CID 49132987) is methyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)NCCc2ccccc2Br)CC1.
What is the InChIKey of methyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate?
The InChIKey is JPIZCGVMPWTOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O3/c1-22-15(21)19-10-8-18(9-11-19)14(20)17-7-6-12-4-2-3-5-13(12)16/h2-5H,6-11H2,1H3,(H,17,20).
What are the key properties of methyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate?
methyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate has a molecular weight of 370.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 49132987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).