1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone

C26H28N2O2 — CID 2893693

IUPAC1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H28N2O2/c1-21-12-14-24(15-13-21)30-20-25(29)27-16-18-28(19-17-27)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26H,16-20H2,1H3
InChIKeyPXWNLFHYMAEYQS-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.31
Rot. Bonds6

About 1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone

1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone (PubChem CID 2893693) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone
PubChem CID2893693
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H28N2O2/c1-21-12-14-24(15-13-21)30-20-25(29)27-16-18-28(19-17-27)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26H,16-20H2,1H3
InChIKeyPXWNLFHYMAEYQS-UHFFFAOYSA-N
XLogP4.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 1390511
1-(4-benzhydrylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone;hydrochloride
CID 2893953
1-[4-[(S)-(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-2-phenoxyethanone
CID 97458623
1-(4-benzhydrylpiperazin-1-yl)-2-(2,4-dimethylphenoxy)ethanone
CID 4945472
4-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 126376520
1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 46100506
1-[4-[(2R)-butan-2-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 806922
phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 110365947
2-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoic acid
CID 2050356
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
1-(4-benzhydrylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 4945471
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone (CID 2893693) is 1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone is Cc1ccc(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone?
The InChIKey is PXWNLFHYMAEYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-21-12-14-24(15-13-21)30-20-25(29)27-16-18-28(19-17-27)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26H,16-20H2,1H3.
What are the key properties of 1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone?
1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone has a molecular weight of 400.52 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 2893693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).