2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide

C24H30BrN3O2 — CID 93324177

IUPAC2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@H](C)NC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C24H30BrN3O2/c1-16(2)17(3)26-24(30)21-9-4-5-10-22(21)28-13-11-20(12-14-28)27-23(29)18-7-6-8-19(25)15-18/h4-10,15-17,20H,11-14H2,1-3H3,(H,26,30)(H,27,29)/t17-/m0/s1
InChIKeyCMYJUHMVYLCHFK-KRWDZBQOSA-N
MW472.43 g/mol
LogP4.62
Rot. Bonds6

About 2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide

2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide (PubChem CID 93324177) has the molecular formula C24H30BrN3O2 and a molecular weight of 472.43 g/mol. Its IUPAC name is 2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound Name2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
PubChem CID93324177
Molecular FormulaC24H30BrN3O2
Molecular Weight472.43 g/mol
Exact Mass471.15
IUPAC Name2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@H](C)NC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C24H30BrN3O2/c1-16(2)17(3)26-24(30)21-9-4-5-10-22(21)28-13-11-20(12-14-28)27-23(29)18-7-6-8-19(25)15-18/h4-10,15-17,20H,11-14H2,1-3H3,(H,26,30)(H,27,29)/t17-/m0/s1
InChIKeyCMYJUHMVYLCHFK-KRWDZBQOSA-N
XLogP4.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-(3-methylbutan-2-yl)benzamide
CID 46037800
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324056
2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324060
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 93324123
2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide
CID 46037808
2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide
CID 46156224
2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 93290973
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide
CID 93324162
N-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038598
2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide
CID 46037660
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide
CID 93324251

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide?
The IUPAC name of 2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide (CID 93324177) is 2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for 2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide?
The canonical SMILES for 2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide is CC(C)[C@H](C)NC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide?
The InChIKey is CMYJUHMVYLCHFK-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H30BrN3O2/c1-16(2)17(3)26-24(30)21-9-4-5-10-22(21)28-13-11-20(12-14-28)27-23(29)18-7-6-8-19(25)15-18/h4-10,15-17,20H,11-14H2,1-3H3,(H,26,30)(H,27,29)/t17-/m0/s1.
What are the key properties of 2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide?
2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide has a molecular weight of 472.43 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 93324177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).