2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide

C24H30BrN3O2 — CID 46037660

IUPAC2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide
SMILESCCC(C)CNC(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C24H30BrN3O2/c1-3-17(2)16-26-24(30)21-6-4-5-7-22(21)28-14-12-20(13-15-28)27-23(29)18-8-10-19(25)11-9-18/h4-11,17,20H,3,12-16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyHCFGILBABCJYRH-UHFFFAOYSA-N
MW472.43 g/mol
LogP4.62
Rot. Bonds7

About 2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide

2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide (PubChem CID 46037660) has the molecular formula C24H30BrN3O2 and a molecular weight of 472.43 g/mol. Its IUPAC name is 2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound Name2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide
PubChem CID46037660
Molecular FormulaC24H30BrN3O2
Molecular Weight472.43 g/mol
Exact Mass471.15
IUPAC Name2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide
SMILESCCC(C)CNC(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C24H30BrN3O2/c1-3-17(2)16-26-24(30)21-6-4-5-7-22(21)28-14-12-20(13-15-28)27-23(29)18-8-10-19(25)11-9-18/h4-11,17,20H,3,12-16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyHCFGILBABCJYRH-UHFFFAOYSA-N
XLogP4.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.43
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93291034
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide
CID 93324251
N-[1-[2-[[(2S)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 93324323
N-(2-methylbutyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
CID 75140863
2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324177
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520
2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 93290973
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
N-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848022
N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide
CID 46038514
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbutanoylamino)piperidin-1-yl]benzamide
CID 46037912

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide?
The IUPAC name of 2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide (CID 46037660) is 2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide.
What is the SMILES notation for 2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide?
The canonical SMILES for 2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide is CCC(C)CNC(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide?
The InChIKey is HCFGILBABCJYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30BrN3O2/c1-3-17(2)16-26-24(30)21-6-4-5-7-22(21)28-14-12-20(13-15-28)27-23(29)18-8-10-19(25)11-9-18/h4-11,17,20H,3,12-16H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide?
2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide has a molecular weight of 472.43 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide is sourced from PubChem (CID 46037660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).