4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]benzamide

C22H26BrN3O2 — CID 1443803

IUPAC4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]benzamide
SMILESCc1cc(C)cc(NC(=O)CN2CCC(NC(=O)c3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C22H26BrN3O2/c1-15-11-16(2)13-20(12-15)24-21(27)14-26-9-7-19(8-10-26)25-22(28)17-3-5-18(23)6-4-17/h3-6,11-13,19H,7-10,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyRFGXSNDKGYKEQP-UHFFFAOYSA-N
MW444.37 g/mol
LogP3.90
Rot. Bonds5

About 4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]benzamide

4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]benzamide (PubChem CID 1443803) has the molecular formula C22H26BrN3O2 and a molecular weight of 444.37 g/mol. Its IUPAC name is 4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]benzamide
PubChem CID1443803
Molecular FormulaC22H26BrN3O2
Molecular Weight444.37 g/mol
Exact Mass443.12
IUPAC Name4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]benzamide
SMILESCc1cc(C)cc(NC(=O)CN2CCC(NC(=O)c3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C22H26BrN3O2/c1-15-11-16(2)13-20(12-15)24-21(27)14-26-9-7-19(8-10-26)25-22(28)17-3-5-18(23)6-4-17/h3-6,11-13,19H,7-10,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyRFGXSNDKGYKEQP-UHFFFAOYSA-N
XLogP3.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47550268
N-cyclopentyl-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909326
4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 34795547
2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3220766
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 42014034
N-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide
CID 3727872
N-(1,3-benzodioxol-5-yl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]acetamide
CID 3220948
4-tert-butyl-N-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 1445029
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 16589755
ethyl 1-[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 54840863
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-4-bromo-2-methylbenzamide
CID 63627498

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]benzamide (CID 1443803) is 4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]benzamide is Cc1cc(C)cc(NC(=O)CN2CCC(NC(=O)c3ccc(Br)cc3)CC2)c1.
What is the InChIKey of 4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]benzamide?
The InChIKey is RFGXSNDKGYKEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN3O2/c1-15-11-16(2)13-20(12-15)24-21(27)14-26-9-7-19(8-10-26)25-22(28)17-3-5-18(23)6-4-17/h3-6,11-13,19H,7-10,14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]benzamide?
4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]benzamide has a molecular weight of 444.37 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 1443803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).