N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide

C18H20BrN3O — CID 113106592

IUPACN-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H20BrN3O/c19-16-6-8-17(9-7-16)21-10-12-22(13-11-21)18(23)20-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)
InChIKeyRBRJEFBTAILVMF-UHFFFAOYSA-N
MW374.28 g/mol
LogP3.48
Rot. Bonds3

About N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide

N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide (PubChem CID 113106592) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide
PubChem CID113106592
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC NameN-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H20BrN3O/c19-16-6-8-17(9-7-16)21-10-12-22(13-11-21)18(23)20-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)
InChIKeyRBRJEFBTAILVMF-UHFFFAOYSA-N
XLogP3.48
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(benzylcarbamoyl)piperazin-1-yl]benzoic acid
CID 15356133
N-[[4-(methoxymethyl)phenyl]methyl]-4-phenylpiperazine-1-carboxamide
CID 35688690
4-[[(4-phenyl-1,4-diazepane-1-carbonyl)amino]methyl]benzoic acid
CID 122019732
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide
CID 60570095
N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 110363825
4-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide
CID 108899617
N-benzylazonane-1-carboxamide
CID 130689649
N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 110810660
N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113108912
N-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113106580
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108617

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide (CID 113106592) is N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide is O=C(NCc1ccccc1)N1CCN(c2ccc(Br)cc2)CC1.
What is the InChIKey of N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide?
The InChIKey is RBRJEFBTAILVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c19-16-6-8-17(9-7-16)21-10-12-22(13-11-21)18(23)20-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23).
What are the key properties of N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide?
N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide has a molecular weight of 374.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113106592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).