N-[1-(2-bromophenyl)ethyl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide

C19H22BrN3O2 — CID 112806249

IUPACN-[1-(2-bromophenyl)ethyl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2cccc(O)c2)CC1)c1ccccc1Br
InChIInChI=1S/C19H22BrN3O2/c1-14(17-7-2-3-8-18(17)20)21-19(25)23-11-9-22(10-12-23)15-5-4-6-16(24)13-15/h2-8,13-14,24H,9-12H2,1H3,(H,21,25)
InChIKeyDDODAGSPHVLABB-UHFFFAOYSA-N
MW404.31 g/mol
LogP3.75
Rot. Bonds3

About N-[1-(2-bromophenyl)ethyl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide

N-[1-(2-bromophenyl)ethyl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide (PubChem CID 112806249) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide
PubChem CID112806249
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC NameN-[1-(2-bromophenyl)ethyl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2cccc(O)c2)CC1)c1ccccc1Br
InChIInChI=1S/C19H22BrN3O2/c1-14(17-7-2-3-8-18(17)20)21-19(25)23-11-9-22(10-12-23)15-5-4-6-16(24)13-15/h2-8,13-14,24H,9-12H2,1H3,(H,21,25)
InChIKeyDDODAGSPHVLABB-UHFFFAOYSA-N
XLogP3.75
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide
CID 51291225
1-[1-(2-bromophenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121905
4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43461737
1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703395
4-(4-acetylphenyl)-N-[1-(3-bromophenyl)ethyl]piperazine-1-carboxamide
CID 55590034
4-(3-chlorophenyl)-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide
CID 41355861
4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
CID 33433718
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 94173692
4-(3-chlorophenyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazine-1-carboxamide
CID 25336780
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829787
4-[4-(1-methylpyrazol-4-yl)phenyl]-N-[(1S)-1-naphthalen-1-ylethyl]piperazine-1-carboxamide
CID 70802467
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide (CID 112806249) is N-[1-(2-bromophenyl)ethyl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide is CC(NC(=O)N1CCN(c2cccc(O)c2)CC1)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide?
The InChIKey is DDODAGSPHVLABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-14(17-7-2-3-8-18(17)20)21-19(25)23-11-9-22(10-12-23)15-5-4-6-16(24)13-15/h2-8,13-14,24H,9-12H2,1H3,(H,21,25).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide?
N-[1-(2-bromophenyl)ethyl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide has a molecular weight of 404.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 112806249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).