1-piperidin-1-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone

C15H24N4O3S — CID 20949564

IUPAC1-piperidin-1-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)N1CCCCC1
InChIInChI=1S/C15H24N4O3S/c20-15(18-7-3-1-4-8-18)12-17-11-14(16-13-17)23(21,22)19-9-5-2-6-10-19/h11,13H,1-10,12H2
InChIKeyVYCWJBXQDMDRKQ-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.07
Rot. Bonds4

About 1-piperidin-1-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone

1-piperidin-1-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone (PubChem CID 20949564) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone
PubChem CID20949564
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name1-piperidin-1-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)N1CCCCC1
InChIInChI=1S/C15H24N4O3S/c20-15(18-7-3-1-4-8-18)12-17-11-14(16-13-17)23(21,22)19-9-5-2-6-10-19/h11,13H,1-10,12H2
InChIKeyVYCWJBXQDMDRKQ-UHFFFAOYSA-N
XLogP1.07
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,4S)-4-fluoro-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875946
N-{1-[(1-Methyl-1H-imidazol-4-YL)sulfonyl]piperidin-4-YL}-N-(oxan-4-YL)propanamide
CID 91906140
2,2,2-trifluoro-N-methyl-N-[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]acetamide
CID 89483486
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine
CID 24229798
4-{4-Fluoro-1-[(1-methyl-1H-imidazol-4-YL)sulfonyl]piperidine-4-carbonyl}morpholine
CID 132443809
N-[1-(1-propan-2-ylimidazol-4-yl)sulfonyl-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 137858947
N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-1H-imidazole-5-sulfonamide
CID 6620341
N-cyclopentyl-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947086
1-(4-Methylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone
CID 20947102
1-(4-Ethylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanone
CID 20947148
N-Cyclohexyl-2-[4-(piperidine-1-sulfonyl)-1H-imidazol-1-YL]acetamide
CID 20949471
1-(4-Methylpiperidin-1-yl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone
CID 20949491

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone (CID 20949564) is 1-piperidin-1-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone is O=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone?
The InChIKey is VYCWJBXQDMDRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c20-15(18-7-3-1-4-8-18)12-17-11-14(16-13-17)23(21,22)19-9-5-2-6-10-19/h11,13H,1-10,12H2.
What are the key properties of 1-piperidin-1-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone?
1-piperidin-1-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone has a molecular weight of 340.45 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone is sourced from PubChem (CID 20949564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).