[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-naphthalen-1-ylmethanone

C28H24Cl2N2O — CID 143237963

IUPAC[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCc1ccc(N2CCN(C(=O)c3cccc4ccccc34)CC2c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C28H24Cl2N2O/c1-19-9-14-26(25(30)17-19)32-16-15-31(18-27(32)21-10-12-22(29)13-11-21)28(33)24-8-4-6-20-5-2-3-7-23(20)24/h2-14,17,27H,15-16,18H2,1H3
InChIKeyBBMLFKULCTXXGN-UHFFFAOYSA-N
MW475.42 g/mol
LogP7.16
Rot. Bonds3

About [4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-naphthalen-1-ylmethanone

[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 143237963) has the molecular formula C28H24Cl2N2O and a molecular weight of 475.42 g/mol. Its IUPAC name is [4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-naphthalen-1-ylmethanone
PubChem CID143237963
Molecular FormulaC28H24Cl2N2O
Molecular Weight475.42 g/mol
Exact Mass474.13
IUPAC Name[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCc1ccc(N2CCN(C(=O)c3cccc4ccccc34)CC2c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C28H24Cl2N2O/c1-19-9-14-26(25(30)17-19)32-16-15-31(18-27(32)21-10-12-22(29)13-11-21)28(33)24-8-4-6-20-5-2-3-7-23(20)24/h2-14,17,27H,15-16,18H2,1H3
InChIKeyBBMLFKULCTXXGN-UHFFFAOYSA-N
XLogP7.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.42
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 143237547
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-(2-hydroxynaphthalen-1-yl)ethanone
CID 59261978
[4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 172718678
(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
2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2-ethyl-4-methylphenyl)piperazin-1-yl]ethanone
CID 163854147
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 1072073
(2S)-2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]butan-1-one
CID 143237811
(2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone
CID 59261834
1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 59261899
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

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-naphthalen-1-ylmethanone (CID 143237963) is [4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-naphthalen-1-ylmethanone is Cc1ccc(N2CCN(C(=O)c3cccc4ccccc34)CC2c2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of [4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is BBMLFKULCTXXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N2O/c1-19-9-14-26(25(30)17-19)32-16-15-31(18-27(32)21-10-12-22(29)13-11-21)28(33)24-8-4-6-20-5-2-3-7-23(20)24/h2-14,17,27H,15-16,18H2,1H3.
What are the key properties of [4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-naphthalen-1-ylmethanone?
[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 475.42 g/mol, XLogP of 7.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 143237963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).