N-cyclohexyl-N-ethyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide

C18H34N4O4S — CID 55566184

IUPACN-cyclohexyl-N-ethyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
SMILESCCN(C(=O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1)C1CCCCC1
InChIInChI=1S/C18H34N4O4S/c1-2-22(17-6-4-3-5-7-17)18(23)16-19-8-10-20(11-9-19)27(24,25)21-12-14-26-15-13-21/h17H,2-16H2,1H3
InChIKeyJEHRVYILZIWJMO-UHFFFAOYSA-N
MW402.56 g/mol
LogP0.36
Rot. Bonds6

About N-cyclohexyl-N-ethyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide

N-cyclohexyl-N-ethyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide (PubChem CID 55566184) has the molecular formula C18H34N4O4S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
PubChem CID55566184
Molecular FormulaC18H34N4O4S
Molecular Weight402.56 g/mol
Exact Mass402.23
IUPAC NameN-cyclohexyl-N-ethyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
SMILESCCN(C(=O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1)C1CCCCC1
InChIInChI=1S/C18H34N4O4S/c1-2-22(17-6-4-3-5-7-17)18(23)16-19-8-10-20(11-9-19)27(24,25)21-12-14-26-15-13-21/h17H,2-16H2,1H3
InChIKeyJEHRVYILZIWJMO-UHFFFAOYSA-N
XLogP0.36
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-[2-(4-morpholinyl)-2-oxoethyl]methanesulfonamide
CID 954166
2-(4-Morpholin-4-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 57442411
1-(4-Butan-2-ylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 57443142
1-Methyl-4-[4-[methyl-[2-[2-[methyl(sulfinato)amino]ethoxy]acetyl]amino]cyclohexyl]piperazine
CID 90131883
2-[[2-[Carboxylatomethyl-(2-morpholin-4-yl-2-oxoethyl)amino]cyclohexyl]-(2-morpholin-4-yl-2-oxoethyl)amino]acetate
CID 140841592
1-[4-[(2R)-1-[2-[4-[(2R)-5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazin-1-yl]ethoxy]propan-2-yl]piperazin-1-yl]ethanone
CID 155322705
1-[3-(3-Morpholin-4-ylpiperidin-1-yl)butyl]-4-propan-2-ylpiperazin-2-one
CID 164926799
N-methyl-N-(4-methylcyclohexyl)-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
CID 45872249
2-[4-[2-(2-Methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 55409375
2-[4-[2-(2-Ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 55412865
2-[4-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 55412886
1-Morpholin-4-yl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 55461987

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide (CID 55566184) is N-cyclohexyl-N-ethyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide is CCN(C(=O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is JEHRVYILZIWJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O4S/c1-2-22(17-6-4-3-5-7-17)18(23)16-19-8-10-20(11-9-19)27(24,25)21-12-14-26-15-13-21/h17H,2-16H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide?
N-cyclohexyl-N-ethyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 402.56 g/mol, XLogP of 0.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 55566184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).