2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide

C20H28N4O5S — CID 46489260

IUPAC2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)C(=O)C1=O
InChIInChI=1S/C20H28N4O5S/c1-3-22-11-12-23(20(27)19(22)26)14-18(25)21-16-8-7-15(2)17(13-16)30(28,29)24-9-5-4-6-10-24/h7-8,13H,3-6,9-12,14H2,1-2H3,(H,21,25)
InChIKeyIHERNIUKONDNQI-UHFFFAOYSA-N
MW436.53 g/mol
LogP0.80
Rot. Bonds6

About 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide

2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 46489260) has the molecular formula C20H28N4O5S and a molecular weight of 436.53 g/mol. Its IUPAC name is 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID46489260
Molecular FormulaC20H28N4O5S
Molecular Weight436.53 g/mol
Exact Mass436.18
IUPAC Name2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)C(=O)C1=O
InChIInChI=1S/C20H28N4O5S/c1-3-22-11-12-23(20(27)19(22)26)14-18(25)21-16-8-7-15(2)17(13-16)30(28,29)24-9-5-4-6-10-24/h7-8,13H,3-6,9-12,14H2,1-2H3,(H,21,25)
InChIKeyIHERNIUKONDNQI-UHFFFAOYSA-N
XLogP0.80
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 31321213
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 55787135
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
2-(2,3-dihydroindol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8704410
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119263648
2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 46569060
2-(4-benzylpiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 46489195
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 16544865
2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 18078412
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide
CID 56574891
2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 16618211

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide (CID 46489260) is 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide is CCN1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)C(=O)C1=O.
What is the InChIKey of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is IHERNIUKONDNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5S/c1-3-22-11-12-23(20(27)19(22)26)14-18(25)21-16-8-7-15(2)17(13-16)30(28,29)24-9-5-4-6-10-24/h7-8,13H,3-6,9-12,14H2,1-2H3,(H,21,25).
What are the key properties of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 436.53 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 46489260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).