2-bromo-6-(1-piperidin-3-ylethylamino)benzamide

C14H20BrN3O — CID 114884744

IUPAC2-bromo-6-(1-piperidin-3-ylethylamino)benzamide
SMILESCC(Nc1cccc(Br)c1C(N)=O)C1CCCNC1
InChIInChI=1S/C14H20BrN3O/c1-9(10-4-3-7-17-8-10)18-12-6-2-5-11(15)13(12)14(16)19/h2,5-6,9-10,17-18H,3-4,7-8H2,1H3,(H2,16,19)
InChIKeyTUDZHFGWARMCLQ-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.35
Rot. Bonds4

About 2-bromo-6-(1-piperidin-3-ylethylamino)benzamide

2-bromo-6-(1-piperidin-3-ylethylamino)benzamide (PubChem CID 114884744) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-bromo-6-(1-piperidin-3-ylethylamino)benzamide.

Molecular Properties

Compound Name2-bromo-6-(1-piperidin-3-ylethylamino)benzamide
PubChem CID114884744
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-bromo-6-(1-piperidin-3-ylethylamino)benzamide
SMILESCC(Nc1cccc(Br)c1C(N)=O)C1CCCNC1
InChIInChI=1S/C14H20BrN3O/c1-9(10-4-3-7-17-8-10)18-12-6-2-5-11(15)13(12)14(16)19/h2,5-6,9-10,17-18H,3-4,7-8H2,1H3,(H2,16,19)
InChIKeyTUDZHFGWARMCLQ-UHFFFAOYSA-N
XLogP2.35
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 115736933
2-(azepan-4-ylamino)-6-bromobenzamide
CID 107173668
2-bromo-6-(piperidin-3-ylmethylamino)benzamide
CID 114884738
2-N-(1-piperidin-3-ylethyl)benzene-1,2-diamine
CID 22184580
2-(1-piperidin-3-ylethylamino)benzenesulfonamide
CID 62046742
2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid
CID 114880085
4,6-dimethyl-2-(1-piperidin-3-ylethylamino)pyridine-3-carboxamide
CID 62047083
3-(1-piperidin-3-ylethylamino)pyrazine-2-carboxamide
CID 62685001
1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carboxamide
CID 63757859
6-methyl-2-(1-piperidin-3-ylethylamino)pyridine-3-carboxamide
CID 62047261
2-bromo-6-(pyrrolidin-2-ylmethylamino)benzamide
CID 114884757
2-fluoro-6-hydroxy-N-(1-piperidin-3-ylethyl)benzamide
CID 107014712

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(1-piperidin-3-ylethylamino)benzamide?
The IUPAC name of 2-bromo-6-(1-piperidin-3-ylethylamino)benzamide (CID 114884744) is 2-bromo-6-(1-piperidin-3-ylethylamino)benzamide.
What is the SMILES notation for 2-bromo-6-(1-piperidin-3-ylethylamino)benzamide?
The canonical SMILES for 2-bromo-6-(1-piperidin-3-ylethylamino)benzamide is CC(Nc1cccc(Br)c1C(N)=O)C1CCCNC1.
What is the InChIKey of 2-bromo-6-(1-piperidin-3-ylethylamino)benzamide?
The InChIKey is TUDZHFGWARMCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-9(10-4-3-7-17-8-10)18-12-6-2-5-11(15)13(12)14(16)19/h2,5-6,9-10,17-18H,3-4,7-8H2,1H3,(H2,16,19).
What are the key properties of 2-bromo-6-(1-piperidin-3-ylethylamino)benzamide?
2-bromo-6-(1-piperidin-3-ylethylamino)benzamide has a molecular weight of 326.24 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(1-piperidin-3-ylethylamino)benzamide is sourced from PubChem (CID 114884744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).