2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide

C22H32N4O5S — CID 55567565

IUPAC2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CC1
InChIInChI=1S/C22H32N4O5S/c1-3-23-21(28)16-24-12-14-25(15-13-24)22(29)19-8-10-26(11-9-19)32(30,31)20-6-4-18(5-7-20)17(2)27/h4-7,19H,3,8-16H2,1-2H3,(H,23,28)
InChIKeyHYXGJKBAWZLOER-UHFFFAOYSA-N
MW464.59 g/mol
LogP0.57
Rot. Bonds7

About 2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide

2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide (PubChem CID 55567565) has the molecular formula C22H32N4O5S and a molecular weight of 464.59 g/mol. Its IUPAC name is 2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide
PubChem CID55567565
Molecular FormulaC22H32N4O5S
Molecular Weight464.59 g/mol
Exact Mass464.21
IUPAC Name2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CC1
InChIInChI=1S/C22H32N4O5S/c1-3-23-21(28)16-24-12-14-25(15-13-24)22(29)19-8-10-26(11-9-19)32(30,31)20-6-4-18(5-7-20)17(2)27/h4-7,19H,3,8-16H2,1-2H3,(H,23,28)
InChIKeyHYXGJKBAWZLOER-UHFFFAOYSA-N
XLogP0.57
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[1-(4-acetylphenyl)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

2-[4-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide
CID 55566414
N-ethyl-2-[4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]acetamide
CID 55567566
1-[4-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone
CID 26068647
N-(4-acetylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 22197196
N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 27125327
1-(4-acetylphenyl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 55660055
1-[4-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone;hydrochloride
CID 119685679
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 1327862
ethyl 4-[4-[4-(3-methylbutyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzoate
CID 55848646
ethyl 4-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 2921895
N-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 26947333
N-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 22200420

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide (CID 55567565) is 2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CC1.
What is the InChIKey of 2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide?
The InChIKey is HYXGJKBAWZLOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O5S/c1-3-23-21(28)16-24-12-14-25(15-13-24)22(29)19-8-10-26(11-9-19)32(30,31)20-6-4-18(5-7-20)17(2)27/h4-7,19H,3,8-16H2,1-2H3,(H,23,28).
What are the key properties of 2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide?
2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide has a molecular weight of 464.59 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 55567565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).