1-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one

C15H23FN4O3S — CID 126899734

IUPAC1-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESCc1nc(S(=O)(=O)N2CCC(N3CC(CF)CC3=O)CC2)cn1C
InChIInChI=1S/C15H23FN4O3S/c1-11-17-14(10-18(11)2)24(22,23)19-5-3-13(4-6-19)20-9-12(8-16)7-15(20)21/h10,12-13H,3-9H2,1-2H3
InChIKeyNPMDCWFIZVYETG-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.70
Rot. Bonds4

About 1-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one

1-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (PubChem CID 126899734) has the molecular formula C15H23FN4O3S and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
PubChem CID126899734
Molecular FormulaC15H23FN4O3S
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC Name1-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESCc1nc(S(=O)(=O)N2CCC(N3CC(CF)CC3=O)CC2)cn1C
InChIInChI=1S/C15H23FN4O3S/c1-11-17-14(10-18(11)2)24(22,23)19-5-3-13(4-6-19)20-9-12(8-16)7-15(20)21/h10,12-13H,3-9H2,1-2H3
InChIKeyNPMDCWFIZVYETG-UHFFFAOYSA-N
XLogP0.70
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53007816
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CID 91916113
1,9-dimethyl-4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 70720945
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CID 110201733
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N-(2,2-difluoroethyl)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-propylpiperidine-4-carboxamide
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(2S,4R)-4-fluoro-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidine-2-carboxamide
CID 120916446
(4,4-Difluoropyrrolidin-2-yl)-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 120955000
(4,4-Difluoropyrrolidin-2-yl)-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 120955001
1-(1-((1,2-dimethyl-1H-imidazol-4-yl)sulfonyl)piperidin-4-yl)-4-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-5(4H)-one
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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The IUPAC name of 1-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (CID 126899734) is 1-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is Cc1nc(S(=O)(=O)N2CCC(N3CC(CF)CC3=O)CC2)cn1C.
What is the InChIKey of 1-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The InChIKey is NPMDCWFIZVYETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O3S/c1-11-17-14(10-18(11)2)24(22,23)19-5-3-13(4-6-19)20-9-12(8-16)7-15(20)21/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 1-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
1-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one has a molecular weight of 358.44 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 126899734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).