4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide

C13H19BrN4O — CID 108869241

IUPAC4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide
SMILESNCCN1CCN(C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C13H19BrN4O/c14-11-1-3-12(4-2-11)16-13(19)18-9-7-17(6-5-15)8-10-18/h1-4H,5-10,15H2,(H,16,19)
InChIKeyCBNISOKYYZBFDI-UHFFFAOYSA-N
MW327.23 g/mol
LogP1.56
Rot. Bonds3

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

4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide (PubChem CID 108869241) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide
PubChem CID108869241
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC Name4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide
SMILESNCCN1CCN(C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C13H19BrN4O/c14-11-1-3-12(4-2-11)16-13(19)18-9-7-17(6-5-15)8-10-18/h1-4H,5-10,15H2,(H,16,19)
InChIKeyCBNISOKYYZBFDI-UHFFFAOYSA-N
XLogP1.56
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894759
4-(2-aminoethyl)-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide
CID 108875241
4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 43252398
N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808
N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 43592283
(Z)-2-[4-(2-aminoethyl)piperazine-1-carbonyl]-3-(4-bromoanilino)prop-2-enenitrile
CID 108863616
4-(4-aminobutyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 43252424
N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 3030092
4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid
CID 61202930
N-[4-(methylamino)phenyl]-4-propylpiperazine-1-carboxamide
CID 59608963
4-(2-aminoethyl)-N-(2-sulfanylphenyl)piperazine-1-carboxamide
CID 108886367
N-(4-bromophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 17377817

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide (CID 108869241) is 4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide is NCCN1CCN(C(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of 4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide?
The InChIKey is CBNISOKYYZBFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c14-11-1-3-12(4-2-11)16-13(19)18-9-7-17(6-5-15)8-10-18/h1-4H,5-10,15H2,(H,16,19).
What are the key properties of 4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide?
4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide has a molecular weight of 327.23 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108869241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).