2-amino-4-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide

C15H20BrN3O — CID 79720090

IUPAC2-amino-4-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
SMILESNc1cc(Br)ccc1C(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C15H20BrN3O/c16-10-1-4-13(14(17)9-10)15(20)18-11-5-7-19(8-6-11)12-2-3-12/h1,4,9,11-12H,2-3,5-8,17H2,(H,18,20)
InChIKeyZJBXATZWGYHACE-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.39
Rot. Bonds3

About 2-amino-4-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide

2-amino-4-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide (PubChem CID 79720090) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
PubChem CID79720090
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name2-amino-4-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
SMILESNc1cc(Br)ccc1C(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C15H20BrN3O/c16-10-1-4-13(14(17)9-10)15(20)18-11-5-7-19(8-6-11)12-2-3-12/h1,4,9,11-12H,2-3,5-8,17H2,(H,18,20)
InChIKeyZJBXATZWGYHACE-UHFFFAOYSA-N
XLogP2.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide
CID 62073326
2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide
CID 79722366
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide
CID 63110384
2-amino-4-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 79706556
3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
CID 60730541
4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide
CID 43711761
4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide
CID 46548528
4-bromo-N-(1-methylpiperidin-4-yl)-2-sulfanylbenzamide
CID 107022653
2-amino-4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107221910
5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide
CID 120641743
2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide
CID 75465077
4,5-dibromo-N-(1-cyclopropylpiperidin-4-yl)thiophene-2-carboxamide
CID 112725100

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide (CID 79720090) is 2-amino-4-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide is Nc1cc(Br)ccc1C(=O)NC1CCN(C2CC2)CC1.
What is the InChIKey of 2-amino-4-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide?
The InChIKey is ZJBXATZWGYHACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c16-10-1-4-13(14(17)9-10)15(20)18-11-5-7-19(8-6-11)12-2-3-12/h1,4,9,11-12H,2-3,5-8,17H2,(H,18,20).
What are the key properties of 2-amino-4-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide?
2-amino-4-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide has a molecular weight of 338.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide is sourced from PubChem (CID 79720090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).