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

C13H16BrN3O2 — CID 47191929

IUPAC4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C13H16BrN3O2/c1-10(18)16-6-8-17(9-7-16)13(19)15-12-5-3-2-4-11(12)14/h2-5H,6-9H2,1H3,(H,15,19)
InChIKeyYUNREKMPVXUBKG-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.15
Rot. Bonds1

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

4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide (PubChem CID 47191929) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is 4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide
PubChem CID47191929
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C13H16BrN3O2/c1-10(18)16-6-8-17(9-7-16)13(19)15-12-5-3-2-4-11(12)14/h2-5H,6-9H2,1H3,(H,15,19)
InChIKeyYUNREKMPVXUBKG-UHFFFAOYSA-N
XLogP2.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 113103489
N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 17217595
1-[(2-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318513
N-(2-bromophenyl)-1,3-thiazolidine-3-carboxamide
CID 3744808
N-(3-bromo-2-methylphenyl)-4-methylpiperazine-1-carboxamide
CID 11507872
2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608695
N-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 86986351
N-(2-bromophenyl)-4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carboxamide
CID 17217969
(3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide
CID 51944008
N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108531
4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide
CID 47267011
4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide
CID 47040881

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide (CID 47191929) is 4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide is CC(=O)N1CCN(C(=O)Nc2ccccc2Br)CC1.
What is the InChIKey of 4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide?
The InChIKey is YUNREKMPVXUBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-10(18)16-6-8-17(9-7-16)13(19)15-12-5-3-2-4-11(12)14/h2-5H,6-9H2,1H3,(H,15,19).
What are the key properties of 4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide?
4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide has a molecular weight of 326.19 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 47191929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).