5-bromo-2-(3-pyrrolidin-2-ylpiperidin-1-yl)benzamide

C16H22BrN3O — CID 114893891

IUPAC5-bromo-2-(3-pyrrolidin-2-ylpiperidin-1-yl)benzamide
SMILESNC(=O)c1cc(Br)ccc1N1CCCC(C2CCCN2)C1
InChIInChI=1S/C16H22BrN3O/c17-12-5-6-15(13(9-12)16(18)21)20-8-2-3-11(10-20)14-4-1-7-19-14/h5-6,9,11,14,19H,1-4,7-8,10H2,(H2,18,21)
InChIKeyMLAMSUQGEIFSBI-UHFFFAOYSA-N
MW352.28 g/mol
LogP2.52
Rot. Bonds3

About 5-bromo-2-(3-pyrrolidin-2-ylpiperidin-1-yl)benzamide

5-bromo-2-(3-pyrrolidin-2-ylpiperidin-1-yl)benzamide (PubChem CID 114893891) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 5-bromo-2-(3-pyrrolidin-2-ylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-(3-pyrrolidin-2-ylpiperidin-1-yl)benzamide
PubChem CID114893891
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name5-bromo-2-(3-pyrrolidin-2-ylpiperidin-1-yl)benzamide
SMILESNC(=O)c1cc(Br)ccc1N1CCCC(C2CCCN2)C1
InChIInChI=1S/C16H22BrN3O/c17-12-5-6-15(13(9-12)16(18)21)20-8-2-3-11(10-20)14-4-1-7-19-14/h5-6,9,11,14,19H,1-4,7-8,10H2,(H2,18,21)
InChIKeyMLAMSUQGEIFSBI-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)piperidin-1-yl]-5-bromobenzamide
CID 114893915
3-bromo-4-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide
CID 82788357
4-(4-bromo-2-carbamoylphenyl)morpholine-2-carboxylic acid
CID 114890055
2-(3-amino-4-methylpiperidin-1-yl)-5-bromobenzamide
CID 114894017
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-methylbenzamide
CID 102683494
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-4-chlorobenzamide
CID 102683731
1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanone
CID 82966788
2-bromo-6-(3-pyrrolidin-2-ylpiperidin-1-yl)benzonitrile
CID 114884716
(4-bromo-2-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999531
3-cyclohexyl-1-(2,5-dibromophenyl)-1,4-diazepane
CID 64943616
(4aS,7aS)-6-(5-bromo-2-nitrophenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683978
5-bromo-2-[3-(dimethylamino)piperidin-1-yl]benzoic acid
CID 114895868

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-pyrrolidin-2-ylpiperidin-1-yl)benzamide?
The IUPAC name of 5-bromo-2-(3-pyrrolidin-2-ylpiperidin-1-yl)benzamide (CID 114893891) is 5-bromo-2-(3-pyrrolidin-2-ylpiperidin-1-yl)benzamide.
What is the SMILES notation for 5-bromo-2-(3-pyrrolidin-2-ylpiperidin-1-yl)benzamide?
The canonical SMILES for 5-bromo-2-(3-pyrrolidin-2-ylpiperidin-1-yl)benzamide is NC(=O)c1cc(Br)ccc1N1CCCC(C2CCCN2)C1.
What is the InChIKey of 5-bromo-2-(3-pyrrolidin-2-ylpiperidin-1-yl)benzamide?
The InChIKey is MLAMSUQGEIFSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c17-12-5-6-15(13(9-12)16(18)21)20-8-2-3-11(10-20)14-4-1-7-19-14/h5-6,9,11,14,19H,1-4,7-8,10H2,(H2,18,21).
What are the key properties of 5-bromo-2-(3-pyrrolidin-2-ylpiperidin-1-yl)benzamide?
5-bromo-2-(3-pyrrolidin-2-ylpiperidin-1-yl)benzamide has a molecular weight of 352.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-pyrrolidin-2-ylpiperidin-1-yl)benzamide is sourced from PubChem (CID 114893891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).