N-(2,6-dimethylphenyl)-2-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]acetamide

C29H33N3O2 — CID 37213698

IUPACN-(2,6-dimethylphenyl)-2-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1
InChIInChI=1S/C29H33N3O2/c1-22-9-8-10-23(2)28(22)30-27(33)21-31-17-19-32(20-18-31)29(34)26-14-7-6-13-25(26)16-15-24-11-4-3-5-12-24/h3-14H,15-21H2,1-2H3,(H,30,33)
InChIKeyZQNACQSRCNXPGR-UHFFFAOYSA-N
MW455.60 g/mol
LogP4.49
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 37213698) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]acetamide
PubChem CID37213698
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1
InChIInChI=1S/C29H33N3O2/c1-22-9-8-10-23(2)28(22)30-27(33)21-31-17-19-32(20-18-31)29(34)26-14-7-6-13-25(26)16-15-24-11-4-3-5-12-24/h3-14H,15-21H2,1-2H3,(H,30,33)
InChIKeyZQNACQSRCNXPGR-UHFFFAOYSA-N
XLogP4.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,6-dimethylphenyl)-2-[4-[2-(2-phenylethyl)benzoyl]piperazin-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

1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone
CID 43007461
2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 27850854
N-(2-ethyl-6-methylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 8932507
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide
CID 17498739
N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide
CID 134006916
4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 27850994
2-[4-[2-(2-cyanophenyl)sulfanylbenzoyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 33216942
2-[4-[(2R)-2-benzylsulfanylpropanoyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 51959190
N-(2,6-dimethylphenyl)-2-[4-(3-ethoxynaphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 17499597
N-(2,6-dimethylphenyl)-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 22107886
N-(2,6-dimethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide
CID 9021581
N-(2,6-dimethylphenyl)-2-[4-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperazin-1-yl]acetamide
CID 37213673

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]acetamide (CID 37213698) is N-(2,6-dimethylphenyl)-2-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]acetamide is Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is ZQNACQSRCNXPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-22-9-8-10-23(2)28(22)30-27(33)21-31-17-19-32(20-18-31)29(34)26-14-7-6-13-25(26)16-15-24-11-4-3-5-12-24/h3-14H,15-21H2,1-2H3,(H,30,33).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 455.60 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 37213698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).