2-arsanyl-1-(4-benzhydrylpiperazin-1-yl)-2-methyl-3,3-diphenylpropan-1-one

C33H35AsN2O — CID 173160090

IUPAC2-arsanyl-1-(4-benzhydrylpiperazin-1-yl)-2-methyl-3,3-diphenylpropan-1-one
SMILESCC([AsH2])(C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H35AsN2O/c1-33(34,30(26-14-6-2-7-15-26)27-16-8-3-9-17-27)32(37)36-24-22-35(23-25-36)31(28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,30-31H,22-25,34H2,1H3
InChIKeyBKFSJWSIAZCCFT-UHFFFAOYSA-N
MW550.58 g/mol
LogP5.56
Rot. Bonds7

About 2-arsanyl-1-(4-benzhydrylpiperazin-1-yl)-2-methyl-3,3-diphenylpropan-1-one

2-arsanyl-1-(4-benzhydrylpiperazin-1-yl)-2-methyl-3,3-diphenylpropan-1-one (PubChem CID 173160090) has the molecular formula C33H35AsN2O and a molecular weight of 550.58 g/mol. Its IUPAC name is 2-arsanyl-1-(4-benzhydrylpiperazin-1-yl)-2-methyl-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name2-arsanyl-1-(4-benzhydrylpiperazin-1-yl)-2-methyl-3,3-diphenylpropan-1-one
PubChem CID173160090
Molecular FormulaC33H35AsN2O
Molecular Weight550.58 g/mol
Exact Mass550.20
IUPAC Name2-arsanyl-1-(4-benzhydrylpiperazin-1-yl)-2-methyl-3,3-diphenylpropan-1-one
SMILESCC([AsH2])(C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H35AsN2O/c1-33(34,30(26-14-6-2-7-15-26)27-16-8-3-9-17-27)32(37)36-24-22-35(23-25-36)31(28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,30-31H,22-25,34H2,1H3
InChIKeyBKFSJWSIAZCCFT-UHFFFAOYSA-N
XLogP5.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.58
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
1-(4-benzhydrylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 52894453
1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2,2-dimethylbutan-1-one
CID 46100767
1-(4-benzhydrylpiperazin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-one
CID 4286754
(4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 27087822
1-(4-benzhydrylpiperazin-1-yl)-2-bromoethanone
CID 86008397
2-(4-benzhydrylpiperazin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-oxoacetamide
CID 108504797
4-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108504777
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826687
4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011
1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one
CID 11842614

Frequently Asked Questions

What is the IUPAC name of 2-arsanyl-1-(4-benzhydrylpiperazin-1-yl)-2-methyl-3,3-diphenylpropan-1-one?
The IUPAC name of 2-arsanyl-1-(4-benzhydrylpiperazin-1-yl)-2-methyl-3,3-diphenylpropan-1-one (CID 173160090) is 2-arsanyl-1-(4-benzhydrylpiperazin-1-yl)-2-methyl-3,3-diphenylpropan-1-one.
What is the SMILES notation for 2-arsanyl-1-(4-benzhydrylpiperazin-1-yl)-2-methyl-3,3-diphenylpropan-1-one?
The canonical SMILES for 2-arsanyl-1-(4-benzhydrylpiperazin-1-yl)-2-methyl-3,3-diphenylpropan-1-one is CC([AsH2])(C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-arsanyl-1-(4-benzhydrylpiperazin-1-yl)-2-methyl-3,3-diphenylpropan-1-one?
The InChIKey is BKFSJWSIAZCCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35AsN2O/c1-33(34,30(26-14-6-2-7-15-26)27-16-8-3-9-17-27)32(37)36-24-22-35(23-25-36)31(28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,30-31H,22-25,34H2,1H3.
What are the key properties of 2-arsanyl-1-(4-benzhydrylpiperazin-1-yl)-2-methyl-3,3-diphenylpropan-1-one?
2-arsanyl-1-(4-benzhydrylpiperazin-1-yl)-2-methyl-3,3-diphenylpropan-1-one has a molecular weight of 550.58 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-arsanyl-1-(4-benzhydrylpiperazin-1-yl)-2-methyl-3,3-diphenylpropan-1-one is sourced from PubChem (CID 173160090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).