N-(1-acetylpiperidin-4-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide

C20H37N5O4S — CID 55626303

IUPACN-(1-acetylpiperidin-4-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide
SMILESCC(=O)N1CCC(NC(=O)CN2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)CC1
InChIInChI=1S/C20H37N5O4S/c1-17(26)24-10-8-18(9-11-24)21-20(27)16-23-12-14-25(15-13-23)30(28,29)22(2)19-6-4-3-5-7-19/h18-19H,3-16H2,1-2H3,(H,21,27)
InChIKeyTYQLNZJHSCUTLX-UHFFFAOYSA-N
MW443.61 g/mol
LogP0.24
Rot. Bonds6

About N-(1-acetylpiperidin-4-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide

N-(1-acetylpiperidin-4-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide (PubChem CID 55626303) has the molecular formula C20H37N5O4S and a molecular weight of 443.61 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide
PubChem CID55626303
Molecular FormulaC20H37N5O4S
Molecular Weight443.61 g/mol
Exact Mass443.26
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide
SMILESCC(=O)N1CCC(NC(=O)CN2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)CC1
InChIInChI=1S/C20H37N5O4S/c1-17(26)24-10-8-18(9-11-24)21-20(27)16-23-12-14-25(15-13-23)30(28,29)22(2)19-6-4-3-5-7-19/h18-19H,3-16H2,1-2H3,(H,21,27)
InChIKeyTYQLNZJHSCUTLX-UHFFFAOYSA-N
XLogP0.24
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 55988325
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 86931069
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 46405623
4-[cyclohexyl(methyl)sulfamoyl]-N-(oxan-4-yl)piperazine-1-carboxamide
CID 128943193
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55626242
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide
CID 55625884
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 55626263
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide
CID 55626213
3-(1-acetylpiperidin-4-yl)-1-cyclohexyl-1-methylurea
CID 47240964
methyl 3-[[2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetyl]amino]-4-methylbenzoate
CID 55626116
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 55625942
N-(1-acetylpiperidin-4-yl)-2-(4-methoxypiperidin-1-yl)acetamide
CID 78847459

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide (CID 55626303) is N-(1-acetylpiperidin-4-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide is CC(=O)N1CCC(NC(=O)CN2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide?
The InChIKey is TYQLNZJHSCUTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O4S/c1-17(26)24-10-8-18(9-11-24)21-20(27)16-23-12-14-25(15-13-23)30(28,29)22(2)19-6-4-3-5-7-19/h18-19H,3-16H2,1-2H3,(H,21,27).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide?
N-(1-acetylpiperidin-4-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide has a molecular weight of 443.61 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55626303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).