[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-1-yl)methanone

C26H23Cl3N2O — CID 59261476

IUPAC[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-1-yl)methanone
SMILESO=C(C1CCc2ccccc21)N1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C26H23Cl3N2O/c27-19-8-5-18(6-9-19)25-16-30(13-14-31(25)24-12-10-20(28)15-23(24)29)26(32)22-11-7-17-3-1-2-4-21(17)22/h1-6,8-10,12,15,22,25H,7,11,13-14,16H2
InChIKeyYFVAWZUWJWKDCL-UHFFFAOYSA-N
MW485.84 g/mol
LogP6.77
Rot. Bonds3

About [3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-1-yl)methanone

[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-1-yl)methanone (PubChem CID 59261476) has the molecular formula C26H23Cl3N2O and a molecular weight of 485.84 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-1-yl)methanone
PubChem CID59261476
Molecular FormulaC26H23Cl3N2O
Molecular Weight485.84 g/mol
Exact Mass484.09
IUPAC Name[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-1-yl)methanone
SMILESO=C(C1CCc2ccccc21)N1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C26H23Cl3N2O/c27-19-8-5-18(6-9-19)25-16-30(13-14-31(25)24-12-10-20(28)15-23(24)29)26(32)22-11-7-17-3-1-2-4-21(17)22/h1-6,8-10,12,15,22,25H,7,11,13-14,16H2
InChIKeyYFVAWZUWJWKDCL-UHFFFAOYSA-N
XLogP6.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.84
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone
CID 59261834
(2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 59261610
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 59261926
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-3-methyl-2-phenylbutan-1-one
CID 59262015
2-(3-chloro-2-fluorophenyl)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]ethanone
CID 59261898
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 59261795
1-[4-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 11496417
(E)-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 59261866
1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 59261899
(2S)-2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]butan-1-one
CID 143237811
2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol
CID 25164951
1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 143237547

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-1-yl)methanone?
The IUPAC name of [3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-1-yl)methanone (CID 59261476) is [3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-1-yl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-1-yl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-1-yl)methanone is O=C(C1CCc2ccccc21)N1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of [3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-1-yl)methanone?
The InChIKey is YFVAWZUWJWKDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl3N2O/c27-19-8-5-18(6-9-19)25-16-30(13-14-31(25)24-12-10-20(28)15-23(24)29)26(32)22-11-7-17-3-1-2-4-21(17)22/h1-6,8-10,12,15,22,25H,7,11,13-14,16H2.
What are the key properties of [3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-1-yl)methanone?
[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-1-yl)methanone has a molecular weight of 485.84 g/mol, XLogP of 6.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-1-yl)methanone is sourced from PubChem (CID 59261476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).