3-bromo-4-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide

C16H22BrN3O — CID 82788357

IUPAC3-bromo-4-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide
SMILESNC(=O)c1ccc(N2CCC(C3CCCN3)CC2)c(Br)c1
InChIInChI=1S/C16H22BrN3O/c17-13-10-12(16(18)21)3-4-15(13)20-8-5-11(6-9-20)14-2-1-7-19-14/h3-4,10-11,14,19H,1-2,5-9H2,(H2,18,21)
InChIKeyJHDHWFFZLRASNE-UHFFFAOYSA-N
MW352.28 g/mol
LogP2.52
Rot. Bonds3

About 3-bromo-4-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide

3-bromo-4-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide (PubChem CID 82788357) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 3-bromo-4-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide
PubChem CID82788357
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name3-bromo-4-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide
SMILESNC(=O)c1ccc(N2CCC(C3CCCN3)CC2)c(Br)c1
InChIInChI=1S/C16H22BrN3O/c17-13-10-12(16(18)21)3-4-15(13)20-8-5-11(6-9-20)14-2-1-7-19-14/h3-4,10-11,14,19H,1-2,5-9H2,(H2,18,21)
InChIKeyJHDHWFFZLRASNE-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-chloro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide
CID 63257325
2-fluoro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide
CID 79515615
5-bromo-2-(3-pyrrolidin-2-ylpiperidin-1-yl)benzamide
CID 114893891
3-[1-(2-bromo-4-carbamoylphenyl)piperidin-4-yl]propanoic acid
CID 82785371
3-bromo-4-[3-(methylamino)pyrrolidin-1-yl]benzamide
CID 82809979
4-(3-amino-4-methylpiperidin-1-yl)-3-bromobenzamide
CID 82809851
(4-bromo-3-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 81294449
3-bromo-4-(2-methylpiperidin-1-yl)benzamide
CID 169336360
(4-bromo-2-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999531
3-bromo-4-(4-methylpiperidin-1-yl)benzoic acid
CID 45072132
(4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259419
1-[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-bromophenyl]ethanone
CID 63532498

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide?
The IUPAC name of 3-bromo-4-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide (CID 82788357) is 3-bromo-4-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide.
What is the SMILES notation for 3-bromo-4-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide?
The canonical SMILES for 3-bromo-4-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide is NC(=O)c1ccc(N2CCC(C3CCCN3)CC2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide?
The InChIKey is JHDHWFFZLRASNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c17-13-10-12(16(18)21)3-4-15(13)20-8-5-11(6-9-20)14-2-1-7-19-14/h3-4,10-11,14,19H,1-2,5-9H2,(H2,18,21).
What are the key properties of 3-bromo-4-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide?
3-bromo-4-(4-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 3-bromo-4-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide is sourced from PubChem (CID 82788357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).