[4-(3,4-dichlorophenyl)piperazin-1-yl]-(5-ethylsulfonyl-2-piperidin-1-ylphenyl)methanone

C24H29Cl2N3O3S — CID 11649168

IUPAC[4-(3,4-dichlorophenyl)piperazin-1-yl]-(5-ethylsulfonyl-2-piperidin-1-ylphenyl)methanone
SMILESCCS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1
InChIInChI=1S/C24H29Cl2N3O3S/c1-2-33(31,32)19-7-9-23(28-10-4-3-5-11-28)20(17-19)24(30)29-14-12-27(13-15-29)18-6-8-21(25)22(26)16-18/h6-9,16-17H,2-5,10-15H2,1H3
InChIKeyKPKWCUFYWNCSFW-UHFFFAOYSA-N
MW510.49 g/mol
LogP4.74
Rot. Bonds5

About [4-(3,4-dichlorophenyl)piperazin-1-yl]-(5-ethylsulfonyl-2-piperidin-1-ylphenyl)methanone

[4-(3,4-dichlorophenyl)piperazin-1-yl]-(5-ethylsulfonyl-2-piperidin-1-ylphenyl)methanone (PubChem CID 11649168) has the molecular formula C24H29Cl2N3O3S and a molecular weight of 510.49 g/mol. Its IUPAC name is [4-(3,4-dichlorophenyl)piperazin-1-yl]-(5-ethylsulfonyl-2-piperidin-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(3,4-dichlorophenyl)piperazin-1-yl]-(5-ethylsulfonyl-2-piperidin-1-ylphenyl)methanone
PubChem CID11649168
Molecular FormulaC24H29Cl2N3O3S
Molecular Weight510.49 g/mol
Exact Mass509.13
IUPAC Name[4-(3,4-dichlorophenyl)piperazin-1-yl]-(5-ethylsulfonyl-2-piperidin-1-ylphenyl)methanone
SMILESCCS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1
InChIInChI=1S/C24H29Cl2N3O3S/c1-2-33(31,32)19-7-9-23(28-10-4-3-5-11-28)20(17-19)24(30)29-14-12-27(13-15-29)18-6-8-21(25)22(26)16-18/h6-9,16-17H,2-5,10-15H2,1H3
InChIKeyKPKWCUFYWNCSFW-UHFFFAOYSA-N
XLogP4.74
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.49
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(3,4-dichlorophenyl)piperazin-1-yl]-(5-ethylsulfonyl-2-piperidin-1-ylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-ethylsulfonyl-2-pyrrolidin-1-ylphenyl)-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]methanone
CID 59793525
(4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone
CID 134016872
N,N-diethyl-3-(4-phenylpiperazine-1-carbonyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 29198849
azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 112759512
3-[4-(4-cyanophenyl)piperazine-1-carbonyl]-N-methyl-4-piperidin-1-ylbenzenesulfonamide
CID 11442725
5-propylsulfonyl-2-pyrrolidin-1-ylbenzoic acid
CID 59793636
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one
CID 17217206
(2,5-dichlorophenyl)-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 2972663
N,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide
CID 39969807
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide
CID 55564764
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-chloro-5-piperidin-1-ylsulfonylphenyl)methanone
CID 26877578
(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38600840

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenyl)piperazin-1-yl]-(5-ethylsulfonyl-2-piperidin-1-ylphenyl)methanone?
The IUPAC name of [4-(3,4-dichlorophenyl)piperazin-1-yl]-(5-ethylsulfonyl-2-piperidin-1-ylphenyl)methanone (CID 11649168) is [4-(3,4-dichlorophenyl)piperazin-1-yl]-(5-ethylsulfonyl-2-piperidin-1-ylphenyl)methanone.
What is the SMILES notation for [4-(3,4-dichlorophenyl)piperazin-1-yl]-(5-ethylsulfonyl-2-piperidin-1-ylphenyl)methanone?
The canonical SMILES for [4-(3,4-dichlorophenyl)piperazin-1-yl]-(5-ethylsulfonyl-2-piperidin-1-ylphenyl)methanone is CCS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1.
What is the InChIKey of [4-(3,4-dichlorophenyl)piperazin-1-yl]-(5-ethylsulfonyl-2-piperidin-1-ylphenyl)methanone?
The InChIKey is KPKWCUFYWNCSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N3O3S/c1-2-33(31,32)19-7-9-23(28-10-4-3-5-11-28)20(17-19)24(30)29-14-12-27(13-15-29)18-6-8-21(25)22(26)16-18/h6-9,16-17H,2-5,10-15H2,1H3.
What are the key properties of [4-(3,4-dichlorophenyl)piperazin-1-yl]-(5-ethylsulfonyl-2-piperidin-1-ylphenyl)methanone?
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(5-ethylsulfonyl-2-piperidin-1-ylphenyl)methanone has a molecular weight of 510.49 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichlorophenyl)piperazin-1-yl]-(5-ethylsulfonyl-2-piperidin-1-ylphenyl)methanone is sourced from PubChem (CID 11649168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).