4-(2-aminoethyl)-N-[2-(2-bromophenyl)ethyl]piperazine-1-carboxamide

C15H23BrN4O — CID 108900519

IUPAC4-(2-aminoethyl)-N-[2-(2-bromophenyl)ethyl]piperazine-1-carboxamide
SMILESNCCN1CCN(C(=O)NCCc2ccccc2Br)CC1
InChIInChI=1S/C15H23BrN4O/c16-14-4-2-1-3-13(14)5-7-18-15(21)20-11-9-19(8-6-17)10-12-20/h1-4H,5-12,17H2,(H,18,21)
InChIKeyGXDZUDNXBYUUCO-UHFFFAOYSA-N
MW355.28 g/mol
LogP1.28
Rot. Bonds5

About 4-(2-aminoethyl)-N-[2-(2-bromophenyl)ethyl]piperazine-1-carboxamide

4-(2-aminoethyl)-N-[2-(2-bromophenyl)ethyl]piperazine-1-carboxamide (PubChem CID 108900519) has the molecular formula C15H23BrN4O and a molecular weight of 355.28 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[2-(2-bromophenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[2-(2-bromophenyl)ethyl]piperazine-1-carboxamide
PubChem CID108900519
Molecular FormulaC15H23BrN4O
Molecular Weight355.28 g/mol
Exact Mass354.11
IUPAC Name4-(2-aminoethyl)-N-[2-(2-bromophenyl)ethyl]piperazine-1-carboxamide
SMILESNCCN1CCN(C(=O)NCCc2ccccc2Br)CC1
InChIInChI=1S/C15H23BrN4O/c16-14-4-2-1-3-13(14)5-7-18-15(21)20-11-9-19(8-6-17)10-12-20/h1-4H,5-12,17H2,(H,18,21)
InChIKeyGXDZUDNXBYUUCO-UHFFFAOYSA-N
XLogP1.28
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 49132871
methyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 49132987
N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide
CID 113103148
N-[2-(2-bromophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 48964145
ethyl 1-[2-(2-bromophenyl)ethylcarbamoyl]piperidine-4-carboxylate
CID 48964132
N-[2-(2-fluorophenyl)ethyl]-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109022
N-[2-(2-bromophenyl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 86788748
3-(2-bromophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 71940123
4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide
CID 108869241
4-amino-N-[2-(2-bromophenyl)ethyl]-2-methylbutanamide
CID 115156135
N-[2-(2-fluorophenyl)ethyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide
CID 119062734
ethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 38151040

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[2-(2-bromophenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-aminoethyl)-N-[2-(2-bromophenyl)ethyl]piperazine-1-carboxamide (CID 108900519) is 4-(2-aminoethyl)-N-[2-(2-bromophenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[2-(2-bromophenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[2-(2-bromophenyl)ethyl]piperazine-1-carboxamide is NCCN1CCN(C(=O)NCCc2ccccc2Br)CC1.
What is the InChIKey of 4-(2-aminoethyl)-N-[2-(2-bromophenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is GXDZUDNXBYUUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O/c16-14-4-2-1-3-13(14)5-7-18-15(21)20-11-9-19(8-6-17)10-12-20/h1-4H,5-12,17H2,(H,18,21).
What are the key properties of 4-(2-aminoethyl)-N-[2-(2-bromophenyl)ethyl]piperazine-1-carboxamide?
4-(2-aminoethyl)-N-[2-(2-bromophenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 355.28 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[2-(2-bromophenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 108900519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).