2-bromo-6-(piperidin-3-ylmethylamino)benzamide

C13H18BrN3O — CID 114884738

IUPAC2-bromo-6-(piperidin-3-ylmethylamino)benzamide
SMILESNC(=O)c1c(Br)cccc1NCC1CCCNC1
InChIInChI=1S/C13H18BrN3O/c14-10-4-1-5-11(12(10)13(15)18)17-8-9-3-2-6-16-7-9/h1,4-5,9,16-17H,2-3,6-8H2,(H2,15,18)
InChIKeyAKARBVQMDMRQCE-UHFFFAOYSA-N
MW312.21 g/mol
LogP1.96
Rot. Bonds4

About 2-bromo-6-(piperidin-3-ylmethylamino)benzamide

2-bromo-6-(piperidin-3-ylmethylamino)benzamide (PubChem CID 114884738) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-bromo-6-(piperidin-3-ylmethylamino)benzamide.

Molecular Properties

Compound Name2-bromo-6-(piperidin-3-ylmethylamino)benzamide
PubChem CID114884738
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name2-bromo-6-(piperidin-3-ylmethylamino)benzamide
SMILESNC(=O)c1c(Br)cccc1NCC1CCCNC1
InChIInChI=1S/C13H18BrN3O/c14-10-4-1-5-11(12(10)13(15)18)17-8-9-3-2-6-16-7-9/h1,4-5,9,16-17H,2-3,6-8H2,(H2,15,18)
InChIKeyAKARBVQMDMRQCE-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

2-bromo-6-(pyrrolidin-2-ylmethylamino)benzamide
CID 114884757
2-(azepan-4-ylamino)-6-bromobenzamide
CID 107173668
5-bromo-2-(piperidin-3-ylmethylamino)benzamide
CID 114893913
2-bromo-6-(1-piperidin-3-ylethylamino)benzamide
CID 114884744
2-bromo-6-[2-[(2S)-pyrrolidin-2-yl]ethylamino]benzamide
CID 104982752
5-(piperidin-3-ylmethylamino)naphthalen-1-ol
CID 80554062
3-bromo-4-(piperidin-3-ylmethylamino)benzenesulfonamide
CID 80554293
N-methyl-2-[2-(piperidin-3-ylmethylamino)phenyl]acetamide
CID 80553694
2-methylsulfanyl-N-(piperidin-3-ylmethyl)aniline
CID 80553558
2-tert-butyl-N-(piperidin-3-ylmethyl)aniline
CID 79018960
3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119463124
3-[(piperidin-3-ylmethylamino)methyl]benzamide
CID 80553685

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(piperidin-3-ylmethylamino)benzamide?
The IUPAC name of 2-bromo-6-(piperidin-3-ylmethylamino)benzamide (CID 114884738) is 2-bromo-6-(piperidin-3-ylmethylamino)benzamide.
What is the SMILES notation for 2-bromo-6-(piperidin-3-ylmethylamino)benzamide?
The canonical SMILES for 2-bromo-6-(piperidin-3-ylmethylamino)benzamide is NC(=O)c1c(Br)cccc1NCC1CCCNC1.
What is the InChIKey of 2-bromo-6-(piperidin-3-ylmethylamino)benzamide?
The InChIKey is AKARBVQMDMRQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c14-10-4-1-5-11(12(10)13(15)18)17-8-9-3-2-6-16-7-9/h1,4-5,9,16-17H,2-3,6-8H2,(H2,15,18).
What are the key properties of 2-bromo-6-(piperidin-3-ylmethylamino)benzamide?
2-bromo-6-(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 2-bromo-6-(piperidin-3-ylmethylamino)benzamide is sourced from PubChem (CID 114884738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).