2-[4-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide

C20H28Cl2N4O4S — CID 55566414

IUPAC2-[4-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1
InChIInChI=1S/C20H28Cl2N4O4S/c1-2-23-18(27)14-24-10-12-25(13-11-24)20(28)15-6-8-26(9-7-15)31(29,30)19-16(21)4-3-5-17(19)22/h3-5,15H,2,6-14H2,1H3,(H,23,27)
InChIKeyLEDIPJAEDMQMMT-UHFFFAOYSA-N
MW491.44 g/mol
LogP1.67
Rot. Bonds6

About 2-[4-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide

2-[4-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide (PubChem CID 55566414) has the molecular formula C20H28Cl2N4O4S and a molecular weight of 491.44 g/mol. Its IUPAC name is 2-[4-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide
PubChem CID55566414
Molecular FormulaC20H28Cl2N4O4S
Molecular Weight491.44 g/mol
Exact Mass490.12
IUPAC Name2-[4-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1
InChIInChI=1S/C20H28Cl2N4O4S/c1-2-23-18(27)14-24-10-12-25(13-11-24)20(28)15-6-8-26(9-7-15)31(29,30)19-16(21)4-3-5-17(19)22/h3-5,15H,2,6-14H2,1H3,(H,23,27)
InChIKeyLEDIPJAEDMQMMT-UHFFFAOYSA-N
XLogP1.67
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide 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

N-ethyl-2-[4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]acetamide
CID 55567566
2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide
CID 55567565
1-(2,6-dichlorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 40630200
[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769479
2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 9443869
(4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 26590906
3-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzenesulfonyl fluoride
CID 166407090
N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 37307613
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 17022662
1-(2,6-dichlorophenyl)sulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 46466616
N-cyclopropyl-2-[4-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]acetamide
CID 55389831
(2S)-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-ethylpropanamide
CID 8599567

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide (CID 55566414) is 2-[4-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1.
What is the InChIKey of 2-[4-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide?
The InChIKey is LEDIPJAEDMQMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28Cl2N4O4S/c1-2-23-18(27)14-24-10-12-25(13-11-24)20(28)15-6-8-26(9-7-15)31(29,30)19-16(21)4-3-5-17(19)22/h3-5,15H,2,6-14H2,1H3,(H,23,27).
What are the key properties of 2-[4-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide?
2-[4-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide has a molecular weight of 491.44 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 55566414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).