2-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethyl]acetamide;sulfuric acid

C22H36N4O7S — CID 70162263

IUPAC2-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethyl]acetamide;sulfuric acid
SMILESCCCOc1ccccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1.O=S(=O)(O)O
InChIInChI=1S/C22H34N4O3.H2O4S/c1-2-17-29-20-8-4-3-7-19(20)25-15-13-24(14-16-25)12-10-23-21(27)18-26-11-6-5-9-22(26)28;1-5(2,3)4/h3-4,7-8H,2,5-6,9-18H2,1H3,(H,23,27);(H2,1,2,3,4)
InChIKeyHDHUBUNBEDACOD-UHFFFAOYSA-N
MW500.62 g/mol
LogP1.07
Rot. Bonds9

About 2-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethyl]acetamide;sulfuric acid

2-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethyl]acetamide;sulfuric acid (PubChem CID 70162263) has the molecular formula C22H36N4O7S and a molecular weight of 500.62 g/mol. Its IUPAC name is 2-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethyl]acetamide;sulfuric acid.

Molecular Properties

Compound Name2-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethyl]acetamide;sulfuric acid
PubChem CID70162263
Molecular FormulaC22H36N4O7S
Molecular Weight500.62 g/mol
Exact Mass500.23
IUPAC Name2-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethyl]acetamide;sulfuric acid
SMILESCCCOc1ccccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1.O=S(=O)(O)O
InChIInChI=1S/C22H34N4O3.H2O4S/c1-2-17-29-20-8-4-3-7-19(20)25-15-13-24(14-16-25)12-10-23-21(27)18-26-11-6-5-9-22(26)28;1-5(2,3)4/h3-4,7-8H,2,5-6,9-18H2,1H3,(H,23,27);(H2,1,2,3,4)
InChIKeyHDHUBUNBEDACOD-UHFFFAOYSA-N
XLogP1.07
TPSA139.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.62
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]acetamide;hydroiodide
CID 10119252
N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-2-(1,3,5,6-tetrahydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetamide
CID 91281800
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42859076
1-(2-oxoazepan-1-yl)-5-[4-(2-phenoxyphenyl)piperazin-1-yl]pentane-2,4-dione
CID 18738366
2-(2-methylphenoxy)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110722802
2-(2-oxopiperidin-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119393442
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268802
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269
2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266897
2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583518
2-[3-[4-(2-butoxyphenyl)piperazin-1-yl]propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 10503368

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethyl]acetamide;sulfuric acid?
The IUPAC name of 2-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethyl]acetamide;sulfuric acid (CID 70162263) is 2-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethyl]acetamide;sulfuric acid.
What is the SMILES notation for 2-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethyl]acetamide;sulfuric acid?
The canonical SMILES for 2-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethyl]acetamide;sulfuric acid is CCCOc1ccccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1.O=S(=O)(O)O.
What is the InChIKey of 2-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethyl]acetamide;sulfuric acid?
The InChIKey is HDHUBUNBEDACOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3.H2O4S/c1-2-17-29-20-8-4-3-7-19(20)25-15-13-24(14-16-25)12-10-23-21(27)18-26-11-6-5-9-22(26)28;1-5(2,3)4/h3-4,7-8H,2,5-6,9-18H2,1H3,(H,23,27);(H2,1,2,3,4).
What are the key properties of 2-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethyl]acetamide;sulfuric acid?
2-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethyl]acetamide;sulfuric acid has a molecular weight of 500.62 g/mol, XLogP of 1.07, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethyl]acetamide;sulfuric acid is sourced from PubChem (CID 70162263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).