2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide

C24H32N4O5S — CID 29325780

IUPAC2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C24H32N4O5S/c1-33-23-10-9-21(34(31,32)28-11-3-2-4-12-28)17-22(23)25-24(30)18-26-13-15-27(16-14-26)19-5-7-20(29)8-6-19/h5-10,17,29H,2-4,11-16,18H2,1H3,(H,25,30)
InChIKeyHJILTVWCEFHUDQ-UHFFFAOYSA-N
MW488.61 g/mol
LogP2.34
Rot. Bonds7

About 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide

2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 29325780) has the molecular formula C24H32N4O5S and a molecular weight of 488.61 g/mol. Its IUPAC name is 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID29325780
Molecular FormulaC24H32N4O5S
Molecular Weight488.61 g/mol
Exact Mass488.21
IUPAC Name2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C24H32N4O5S/c1-33-23-10-9-21(34(31,32)28-11-3-2-4-12-28)17-22(23)25-24(30)18-26-13-15-27(16-14-26)19-5-7-20(29)8-6-19/h5-10,17,29H,2-4,11-16,18H2,1H3,(H,25,30)
InChIKeyHJILTVWCEFHUDQ-UHFFFAOYSA-N
XLogP2.34
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
CID 8894862
2-(azepan-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4965549
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
[2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl] propanoate
CID 9015169
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902014
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 4787017
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-methylphenyl)propanamide
CID 24555023
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide
CID 55846263
2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92678134
2-(2-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92673181
2-(azepan-1-yl)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4818242
3-(benzenesulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 24636057

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide (CID 29325780) is 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is HJILTVWCEFHUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5S/c1-33-23-10-9-21(34(31,32)28-11-3-2-4-12-28)17-22(23)25-24(30)18-26-13-15-27(16-14-26)19-5-7-20(29)8-6-19/h5-10,17,29H,2-4,11-16,18H2,1H3,(H,25,30).
What are the key properties of 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 488.61 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 29325780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).