2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide

C25H27N3O2 — CID 3040739

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide
SMILESCOc1ccc(N2CCN(CC(=O)N(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H27N3O2/c1-30-24-14-12-21(13-15-24)27-18-16-26(17-19-27)20-25(29)28(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15H,16-20H2,1H3
InChIKeyGSKDPXXLLGGLHN-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.18
Rot. Bonds6

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide (PubChem CID 3040739) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide
PubChem CID3040739
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide
SMILESCOc1ccc(N2CCN(CC(=O)N(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H27N3O2/c1-30-24-14-12-21(13-15-24)27-18-16-26(17-19-27)20-25(29)28(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15H,16-20H2,1H3
InChIKeyGSKDPXXLLGGLHN-UHFFFAOYSA-N
XLogP4.18
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811
[4-(4-methoxyphenyl)piperazin-1-yl] N,N-diphenylcarbamate
CID 175266285
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 6470922
2-[4-(4-methoxyphenyl)piperazin-1-yl]acetohydrazide
CID 2755809
3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 10711251
(NE)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethylidene]hydroxylamine
CID 6369923
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108986682
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 8592399
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18196239
propan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate
CID 60688983
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 9129867
(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 108989482

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide (CID 3040739) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide is COc1ccc(N2CCN(CC(=O)N(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide?
The InChIKey is GSKDPXXLLGGLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-30-24-14-12-21(13-15-24)27-18-16-26(17-19-27)20-25(29)28(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15H,16-20H2,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide has a molecular weight of 401.51 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide is sourced from PubChem (CID 3040739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).