N-(2,6-dichlorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide

C24H28Cl2N2O2 — CID 60511176

IUPACN-(2,6-dichlorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
SMILESCC(C)Cc1ccc(C(=O)C2CCN(CC(=O)Nc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C24H28Cl2N2O2/c1-16(2)14-17-6-8-18(9-7-17)24(30)19-10-12-28(13-11-19)15-22(29)27-23-20(25)4-3-5-21(23)26/h3-9,16,19H,10-15H2,1-2H3,(H,27,29)
InChIKeyQEDGOHRDAIRBRC-UHFFFAOYSA-N
MW447.41 g/mol
LogP5.73
Rot. Bonds7

About N-(2,6-dichlorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide

N-(2,6-dichlorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide (PubChem CID 60511176) has the molecular formula C24H28Cl2N2O2 and a molecular weight of 447.41 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
PubChem CID60511176
Molecular FormulaC24H28Cl2N2O2
Molecular Weight447.41 g/mol
Exact Mass446.15
IUPAC NameN-(2,6-dichlorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
SMILESCC(C)Cc1ccc(C(=O)C2CCN(CC(=O)Nc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C24H28Cl2N2O2/c1-16(2)14-17-6-8-18(9-7-17)24(30)19-10-12-28(13-11-19)15-22(29)27-23-20(25)4-3-5-21(23)26/h3-9,16,19H,10-15H2,1-2H3,(H,27,29)
InChIKeyQEDGOHRDAIRBRC-UHFFFAOYSA-N
XLogP5.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.41
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,6-dichlorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide 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-(methylcarbamoyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
CID 55850203
N-[(2S)-1-methoxypropan-2-yl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
CID 51946728
N-(2,6-dichlorophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetamide
CID 26043935
2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetonitrile
CID 60500740
2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 112841566
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide
CID 55739954
N-cyclopropyl-2-[4-[2-(2,6-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30740870
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,6-dichlorophenyl)acetamide
CID 11940729
[4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone
CID 62906178
N-[3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]acetamide
CID 55707534
2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
CID 2697466
2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 60561318

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide (CID 60511176) is N-(2,6-dichlorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide is CC(C)Cc1ccc(C(=O)C2CCN(CC(=O)Nc3c(Cl)cccc3Cl)CC2)cc1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide?
The InChIKey is QEDGOHRDAIRBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N2O2/c1-16(2)14-17-6-8-18(9-7-17)24(30)19-10-12-28(13-11-19)15-22(29)27-23-20(25)4-3-5-21(23)26/h3-9,16,19H,10-15H2,1-2H3,(H,27,29).
What are the key properties of N-(2,6-dichlorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide?
N-(2,6-dichlorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide has a molecular weight of 447.41 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 60511176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).