4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-phenylphenyl)methyl]butanamide

C28H33N3O2 — CID 72549768

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-phenylphenyl)methyl]butanamide
SMILESCOc1ccccc1N1CCN(CCCC(=O)NCc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C28H33N3O2/c1-33-27-15-8-7-14-26(27)31-20-18-30(19-21-31)17-9-16-28(32)29-22-24-12-5-6-13-25(24)23-10-3-2-4-11-23/h2-8,10-15H,9,16-22H2,1H3,(H,29,32)
InChIKeyDLRXKLCJAXDRSF-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.58
Rot. Bonds9

About 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-phenylphenyl)methyl]butanamide

4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-phenylphenyl)methyl]butanamide (PubChem CID 72549768) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-phenylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-phenylphenyl)methyl]butanamide
PubChem CID72549768
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-phenylphenyl)methyl]butanamide
SMILESCOc1ccccc1N1CCN(CCCC(=O)NCc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C28H33N3O2/c1-33-27-15-8-7-14-26(27)31-20-18-30(19-21-31)17-9-16-28(32)29-22-24-12-5-6-13-25(24)23-10-3-2-4-11-23/h2-8,10-15H,9,16-22H2,1H3,(H,29,32)
InChIKeyDLRXKLCJAXDRSF-UHFFFAOYSA-N
XLogP4.58
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-phenylphenyl)methyl]butanamide 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 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-phenylphenyl)methyl]butanamide?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-phenylphenyl)methyl]butanamide (CID 72549768) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-phenylphenyl)methyl]butanamide.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-phenylphenyl)methyl]butanamide?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-phenylphenyl)methyl]butanamide is COc1ccccc1N1CCN(CCCC(=O)NCc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-phenylphenyl)methyl]butanamide?
The InChIKey is DLRXKLCJAXDRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-33-27-15-8-7-14-26(27)31-20-18-30(19-21-31)17-9-16-28(32)29-22-24-12-5-6-13-25(24)23-10-3-2-4-11-23/h2-8,10-15H,9,16-22H2,1H3,(H,29,32).
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-phenylphenyl)methyl]butanamide?
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-phenylphenyl)methyl]butanamide has a molecular weight of 443.59 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-phenylphenyl)methyl]butanamide is sourced from PubChem (CID 72549768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).