N-cyclohexyl-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpiperazine-1-sulfonamide

C20H38N4O3S — CID 55626336

IUPACN-cyclohexyl-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpiperazine-1-sulfonamide
SMILESCC1CCCC(C)N1C(=O)CN1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C20H38N4O3S/c1-17-8-7-9-18(2)24(17)20(25)16-22-12-14-23(15-13-22)28(26,27)21(3)19-10-5-4-6-11-19/h17-19H,4-16H2,1-3H3
InChIKeyNJPRABPVMKLAJF-UHFFFAOYSA-N
MW414.62 g/mol
LogP1.90
Rot. Bonds5

About N-cyclohexyl-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpiperazine-1-sulfonamide

N-cyclohexyl-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpiperazine-1-sulfonamide (PubChem CID 55626336) has the molecular formula C20H38N4O3S and a molecular weight of 414.62 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpiperazine-1-sulfonamide
PubChem CID55626336
Molecular FormulaC20H38N4O3S
Molecular Weight414.62 g/mol
Exact Mass414.27
IUPAC NameN-cyclohexyl-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpiperazine-1-sulfonamide
SMILESCC1CCCC(C)N1C(=O)CN1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C20H38N4O3S/c1-17-8-7-9-18(2)24(17)20(25)16-22-12-14-23(15-13-22)28(26,27)21(3)19-10-5-4-6-11-19/h17-19H,4-16H2,1-3H3
InChIKeyNJPRABPVMKLAJF-UHFFFAOYSA-N
XLogP1.90
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.62
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]acetamide
CID 42955196
2-(2-Methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone
CID 3226817
1-methyl-4-[(1R,2R)-2-(4-methyl-3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione
CID 9819138
3-Oxo-4-(1-propan-2-ylpiperidin-4-yl)piperazine-1-sulfonamide
CID 22980208
1-(4-Cyclohexylpiperazin-1-yl)-2-[4-(dipropylamino)piperidin-1-yl]ethanone
CID 57442644
2-(4-Acetylpiperazin-1-yl)-1-(4-cyclohexylpiperazin-1-yl)ethanone
CID 57442673
1-Methyl-4-[2-(4-methyl-3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione
CID 67914386
1-methyl-4-[(1S,2S)-2-(4-methyl-3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione
CID 67914421
2-[Ethyl-[2-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]cyclohexyl]amino]-1-piperidin-1-ylethanone
CID 145143464
4-[5-(2-Methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-1-propan-2-ylpiperazin-2-one
CID 167273686
1-(4-Cyclohexyl-2-oxopiperazin-1-yl)-4-methylpiperazin-2-one;ethane
CID 168921410
4-[5-(4-Methylpiperazin-1-yl)hexan-2-yl]-1-propan-2-ylpiperazin-2-one
CID 169901514

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpiperazine-1-sulfonamide?
The IUPAC name of N-cyclohexyl-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpiperazine-1-sulfonamide (CID 55626336) is N-cyclohexyl-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpiperazine-1-sulfonamide is CC1CCCC(C)N1C(=O)CN1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpiperazine-1-sulfonamide?
The InChIKey is NJPRABPVMKLAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O3S/c1-17-8-7-9-18(2)24(17)20(25)16-22-12-14-23(15-13-22)28(26,27)21(3)19-10-5-4-6-11-19/h17-19H,4-16H2,1-3H3.
What are the key properties of N-cyclohexyl-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpiperazine-1-sulfonamide?
N-cyclohexyl-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpiperazine-1-sulfonamide has a molecular weight of 414.62 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 55626336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).