2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide

C26H32BrN3O2 — CID 46156224

IUPAC2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1N1CCC(NC(=O)c2cccc(Br)c2)CC1)C1CCCCC1
InChIInChI=1S/C26H32BrN3O2/c1-29(22-10-3-2-4-11-22)26(32)23-12-5-6-13-24(23)30-16-14-21(15-17-30)28-25(31)19-8-7-9-20(27)18-19/h5-9,12-13,18,21-22H,2-4,10-11,14-17H2,1H3,(H,28,31)
InChIKeyPJZICIZYUSZGCY-UHFFFAOYSA-N
MW498.47 g/mol
LogP5.25
Rot. Bonds5

About 2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide

2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide (PubChem CID 46156224) has the molecular formula C26H32BrN3O2 and a molecular weight of 498.47 g/mol. Its IUPAC name is 2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide.

Molecular Properties

Compound Name2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide
PubChem CID46156224
Molecular FormulaC26H32BrN3O2
Molecular Weight498.47 g/mol
Exact Mass497.17
IUPAC Name2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1N1CCC(NC(=O)c2cccc(Br)c2)CC1)C1CCCCC1
InChIInChI=1S/C26H32BrN3O2/c1-29(22-10-3-2-4-11-22)26(32)23-12-5-6-13-24(23)30-16-14-21(15-17-30)28-25(31)19-8-7-9-20(27)18-19/h5-9,12-13,18,21-22H,2-4,10-11,14-17H2,1H3,(H,28,31)
InChIKeyPJZICIZYUSZGCY-UHFFFAOYSA-N
XLogP5.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.47
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide
CID 24719023
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide
CID 46038313
N-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide
CID 46038316
N-cyclohexyl-N-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038655
2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324177
3-bromo-N-cyclohexyl-N-methylbenzamide
CID 19166286
3-bromo-N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide
CID 78828352
3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide
CID 51210719
3-bromo-N-cyclopentyl-N-methylbenzamide
CID 43213208
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide
CID 93324251
N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide
CID 42848136
2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide
CID 46037660

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide?
The IUPAC name of 2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide (CID 46156224) is 2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide.
What is the SMILES notation for 2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide?
The canonical SMILES for 2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide is CN(C(=O)c1ccccc1N1CCC(NC(=O)c2cccc(Br)c2)CC1)C1CCCCC1.
What is the InChIKey of 2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide?
The InChIKey is PJZICIZYUSZGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32BrN3O2/c1-29(22-10-3-2-4-11-22)26(32)23-12-5-6-13-24(23)30-16-14-21(15-17-30)28-25(31)19-8-7-9-20(27)18-19/h5-9,12-13,18,21-22H,2-4,10-11,14-17H2,1H3,(H,28,31).
What are the key properties of 2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide?
2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide has a molecular weight of 498.47 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 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-cyclohexyl-N-methylbenzamide is sourced from PubChem (CID 46156224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).