N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(4-phenylphenyl)acetamide

C30H33N3O3 — CID 53383991

IUPACN-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(4-phenylphenyl)acetamide
SMILESO=C(NCc1ccccc1)C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C30H33N3O3/c34-29(31-22-23-8-3-1-4-9-23)28(26-15-13-25(14-16-26)24-10-5-2-6-11-24)32-17-19-33(20-18-32)30(35)27-12-7-21-36-27/h1-6,8-11,13-16,27-28H,7,12,17-22H2,(H,31,34)
InChIKeyLCQIUVJNDAFOCX-UHFFFAOYSA-N
MW483.61 g/mol
LogP4.03
Rot. Bonds7

About N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(4-phenylphenyl)acetamide

N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(4-phenylphenyl)acetamide (PubChem CID 53383991) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(4-phenylphenyl)acetamide
PubChem CID53383991
Molecular FormulaC30H33N3O3
Molecular Weight483.61 g/mol
Exact Mass483.25
IUPAC NameN-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(4-phenylphenyl)acetamide
SMILESO=C(NCc1ccccc1)C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C30H33N3O3/c34-29(31-22-23-8-3-1-4-9-23)28(26-15-13-25(14-16-26)24-10-5-2-6-11-24)32-17-19-33(20-18-32)30(35)27-12-7-21-36-27/h1-6,8-11,13-16,27-28H,7,12,17-22H2,(H,31,34)
InChIKeyLCQIUVJNDAFOCX-UHFFFAOYSA-N
XLogP4.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(4-phenylphenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(4-phenylphenyl)acetamide (CID 53383991) is N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(4-phenylphenyl)acetamide is O=C(NCc1ccccc1)C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(4-phenylphenyl)acetamide?
The InChIKey is LCQIUVJNDAFOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3/c34-29(31-22-23-8-3-1-4-9-23)28(26-15-13-25(14-16-26)24-10-5-2-6-11-24)32-17-19-33(20-18-32)30(35)27-12-7-21-36-27/h1-6,8-11,13-16,27-28H,7,12,17-22H2,(H,31,34).
What are the key properties of N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(4-phenylphenyl)acetamide?
N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(4-phenylphenyl)acetamide has a molecular weight of 483.61 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 53383991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).