2-[2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]acetamide

C15H22N6O3S — CID 72852742

IUPAC2-[2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]acetamide
SMILESCCn1cc(S(=O)(=O)N2CCCC(c3nccn3CC(N)=O)C2)cn1
InChIInChI=1S/C15H22N6O3S/c1-2-20-10-13(8-18-20)25(23,24)21-6-3-4-12(9-21)15-17-5-7-19(15)11-14(16)22/h5,7-8,10,12H,2-4,6,9,11H2,1H3,(H2,16,22)
InChIKeyRABCFRVBXIUOBY-UHFFFAOYSA-N
MW366.45 g/mol
LogP0.15
Rot. Bonds6

About 2-[2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 72852742) has the molecular formula C15H22N6O3S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]acetamide
PubChem CID72852742
Molecular FormulaC15H22N6O3S
Molecular Weight366.45 g/mol
Exact Mass366.15
IUPAC Name2-[2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]acetamide
SMILESCCn1cc(S(=O)(=O)N2CCCC(c3nccn3CC(N)=O)C2)cn1
InChIInChI=1S/C15H22N6O3S/c1-2-20-10-13(8-18-20)25(23,24)21-6-3-4-12(9-21)15-17-5-7-19(15)11-14(16)22/h5,7-8,10,12H,2-4,6,9,11H2,1H3,(H2,16,22)
InChIKeyRABCFRVBXIUOBY-UHFFFAOYSA-N
XLogP0.15
TPSA116.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72931873
(3R)-3-(1-ethylimidazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine
CID 97154764
3-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]sulfonylbenzoic acid
CID 70768359
2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97269942
N-cyclohexyl-3-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92590162
2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-isoquinolin-1-yl-1,3,4-oxadiazole
CID 92590167
2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propylimidazole
CID 164637005
2-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72867056
2-[2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97283989
2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92590169
2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
CID 95110380
2-[4-(3-aminopiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 61403798

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]acetamide (CID 72852742) is 2-[2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]acetamide is CCn1cc(S(=O)(=O)N2CCCC(c3nccn3CC(N)=O)C2)cn1.
What is the InChIKey of 2-[2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]acetamide?
The InChIKey is RABCFRVBXIUOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3S/c1-2-20-10-13(8-18-20)25(23,24)21-6-3-4-12(9-21)15-17-5-7-19(15)11-14(16)22/h5,7-8,10,12H,2-4,6,9,11H2,1H3,(H2,16,22).
What are the key properties of 2-[2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]acetamide?
2-[2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 366.45 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 72852742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).