N-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide

C29H34N4O2 — CID 24596362

IUPACN-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC(=O)NC(Cc2ccccc2)c2ccccc2)CC1)NCc1ccccc1
InChIInChI=1S/C29H34N4O2/c34-28(30-21-25-12-6-2-7-13-25)22-32-16-18-33(19-17-32)23-29(35)31-27(26-14-8-3-9-15-26)20-24-10-4-1-5-11-24/h1-15,27H,16-23H2,(H,30,34)(H,31,35)
InChIKeyJFIUVQMQCQSQGM-UHFFFAOYSA-N
MW470.62 g/mol
LogP3.02
Rot. Bonds10

About N-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide

N-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 24596362) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is N-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID24596362
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC NameN-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC(=O)NC(Cc2ccccc2)c2ccccc2)CC1)NCc1ccccc1
InChIInChI=1S/C29H34N4O2/c34-28(30-21-25-12-6-2-7-13-25)22-32-16-18-33(19-17-32)23-29(35)31-27(26-14-8-3-9-15-26)20-24-10-4-1-5-11-24/h1-15,27H,16-23H2,(H,30,34)(H,31,35)
InChIKeyJFIUVQMQCQSQGM-UHFFFAOYSA-N
XLogP3.02
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]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

N-(1,2-diphenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 17412124
N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide
CID 46700155
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
2-[4-[2-[benzhydryl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide
CID 55494313
N-benzyl-2-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]acetamide
CID 163526789
N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 125175804
1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 25377837
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
N-(1,2-diphenylethyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
CID 86959598
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,2-diphenylethyl)acetamide;hydrochloride
CID 120776374
N-benzyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30636341
2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride
CID 119840173

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide (CID 24596362) is N-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide is O=C(CN1CCN(CC(=O)NC(Cc2ccccc2)c2ccccc2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is JFIUVQMQCQSQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c34-28(30-21-25-12-6-2-7-13-25)22-32-16-18-33(19-17-32)23-29(35)31-27(26-14-8-3-9-15-26)20-24-10-4-1-5-11-24/h1-15,27H,16-23H2,(H,30,34)(H,31,35).
What are the key properties of N-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
N-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 470.62 g/mol, XLogP of 3.02, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 24596362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).