5-bromo-2-(piperidin-3-ylmethylamino)benzamide

C13H18BrN3O — CID 114893913

IUPAC5-bromo-2-(piperidin-3-ylmethylamino)benzamide
SMILESNC(=O)c1cc(Br)ccc1NCC1CCCNC1
InChIInChI=1S/C13H18BrN3O/c14-10-3-4-12(11(6-10)13(15)18)17-8-9-2-1-5-16-7-9/h3-4,6,9,16-17H,1-2,5,7-8H2,(H2,15,18)
InChIKeyOLGAJTBPPHYPQL-UHFFFAOYSA-N
MW312.21 g/mol
LogP1.96
Rot. Bonds4

About 5-bromo-2-(piperidin-3-ylmethylamino)benzamide

5-bromo-2-(piperidin-3-ylmethylamino)benzamide (PubChem CID 114893913) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 5-bromo-2-(piperidin-3-ylmethylamino)benzamide.

Molecular Properties

Compound Name5-bromo-2-(piperidin-3-ylmethylamino)benzamide
PubChem CID114893913
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name5-bromo-2-(piperidin-3-ylmethylamino)benzamide
SMILESNC(=O)c1cc(Br)ccc1NCC1CCCNC1
InChIInChI=1S/C13H18BrN3O/c14-10-3-4-12(11(6-10)13(15)18)17-8-9-2-1-5-16-7-9/h3-4,6,9,16-17H,1-2,5,7-8H2,(H2,15,18)
InChIKeyOLGAJTBPPHYPQL-UHFFFAOYSA-N
XLogP1.96
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide
CID 80564049
2-bromo-6-(piperidin-3-ylmethylamino)benzamide
CID 114884738
5-bromo-2-(2-pyrrolidin-2-ylethylamino)benzamide
CID 114894218
5-bromo-2-[2-[(2S)-pyrrolidin-2-yl]ethylamino]benzamide
CID 104982774
5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
CID 106642759
3-bromo-4-(piperidin-3-ylmethylamino)benzenesulfonamide
CID 80554293
4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide
CID 106643830
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 65311677
5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208623
2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628749
5-bromo-2-(oxan-3-ylmethylamino)benzoic acid
CID 114895502
N-(4-bromo-2-nitrophenyl)-2-piperidin-3-ylacetamide
CID 62674890

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(piperidin-3-ylmethylamino)benzamide?
The IUPAC name of 5-bromo-2-(piperidin-3-ylmethylamino)benzamide (CID 114893913) is 5-bromo-2-(piperidin-3-ylmethylamino)benzamide.
What is the SMILES notation for 5-bromo-2-(piperidin-3-ylmethylamino)benzamide?
The canonical SMILES for 5-bromo-2-(piperidin-3-ylmethylamino)benzamide is NC(=O)c1cc(Br)ccc1NCC1CCCNC1.
What is the InChIKey of 5-bromo-2-(piperidin-3-ylmethylamino)benzamide?
The InChIKey is OLGAJTBPPHYPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c14-10-3-4-12(11(6-10)13(15)18)17-8-9-2-1-5-16-7-9/h3-4,6,9,16-17H,1-2,5,7-8H2,(H2,15,18).
What are the key properties of 5-bromo-2-(piperidin-3-ylmethylamino)benzamide?
5-bromo-2-(piperidin-3-ylmethylamino)benzamide has a molecular weight of 312.21 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(piperidin-3-ylmethylamino)benzamide is sourced from PubChem (CID 114893913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).