4-(4-aminopiperidin-1-yl)-2-bromobenzamide

C12H16BrN3O — CID 107280577

IUPAC4-(4-aminopiperidin-1-yl)-2-bromobenzamide
SMILESNC(=O)c1ccc(N2CCC(N)CC2)cc1Br
InChIInChI=1S/C12H16BrN3O/c13-11-7-9(1-2-10(11)12(15)17)16-5-3-8(14)4-6-16/h1-2,7-8H,3-6,14H2,(H2,15,17)
InChIKeyKCVXYNFRMXHDAE-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.48
Rot. Bonds2

About 4-(4-aminopiperidin-1-yl)-2-bromobenzamide

4-(4-aminopiperidin-1-yl)-2-bromobenzamide (PubChem CID 107280577) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 4-(4-aminopiperidin-1-yl)-2-bromobenzamide.

Molecular Properties

Compound Name4-(4-aminopiperidin-1-yl)-2-bromobenzamide
PubChem CID107280577
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name4-(4-aminopiperidin-1-yl)-2-bromobenzamide
SMILESNC(=O)c1ccc(N2CCC(N)CC2)cc1Br
InChIInChI=1S/C12H16BrN3O/c13-11-7-9(1-2-10(11)12(15)17)16-5-3-8(14)4-6-16/h1-2,7-8H,3-6,14H2,(H2,15,17)
InChIKeyKCVXYNFRMXHDAE-UHFFFAOYSA-N
XLogP1.48
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-carbamoylphenyl)piperidine-4-carboxylic acid
CID 107275312
4-[3-(1-aminoethyl)piperidin-1-yl]-2-bromobenzamide
CID 107280735
2-bromo-4-(3-hydroxypyrrolidin-1-yl)benzenecarbothioamide
CID 107277757
2-amino-5-(4-cyclopropylpiperidin-1-yl)benzamide
CID 153382110
methyl 2-bromo-4-(4-hydroxypiperidin-1-yl)benzoate
CID 66906453
4-(3-aminopyrrolidin-1-yl)-2-(trifluoromethyl)benzamide
CID 55029458
4-(4-aminopiperidin-1-yl)benzoic acid
CID 18617654
2-bromo-4-(4-tert-butylazepan-1-yl)benzenecarbothioamide
CID 107277858
4-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-bromobenzamide
CID 107280604
2-bromo-4-thiomorpholin-4-ylbenzenecarbothioamide
CID 107277311
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-bromobenzenecarbothioamide
CID 107277408
2-amino-5-[4-(dimethylamino)piperidin-1-yl]benzamide
CID 61305728

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidin-1-yl)-2-bromobenzamide?
The IUPAC name of 4-(4-aminopiperidin-1-yl)-2-bromobenzamide (CID 107280577) is 4-(4-aminopiperidin-1-yl)-2-bromobenzamide.
What is the SMILES notation for 4-(4-aminopiperidin-1-yl)-2-bromobenzamide?
The canonical SMILES for 4-(4-aminopiperidin-1-yl)-2-bromobenzamide is NC(=O)c1ccc(N2CCC(N)CC2)cc1Br.
What is the InChIKey of 4-(4-aminopiperidin-1-yl)-2-bromobenzamide?
The InChIKey is KCVXYNFRMXHDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c13-11-7-9(1-2-10(11)12(15)17)16-5-3-8(14)4-6-16/h1-2,7-8H,3-6,14H2,(H2,15,17).
What are the key properties of 4-(4-aminopiperidin-1-yl)-2-bromobenzamide?
4-(4-aminopiperidin-1-yl)-2-bromobenzamide has a molecular weight of 298.18 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidin-1-yl)-2-bromobenzamide is sourced from PubChem (CID 107280577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).