[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone

C15H24N4O3S — CID 53007827

IUPAC[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCn1cnc(S(=O)(=O)N2CCCC(C(=O)N3CCCC3)C2)c1
InChIInChI=1S/C15H24N4O3S/c1-2-17-11-14(16-12-17)23(21,22)19-9-5-6-13(10-19)15(20)18-7-3-4-8-18/h11-13H,2-10H2,1H3
InChIKeyYBFMAJCCSKSLFN-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.93
Rot. Bonds4

About [1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone

[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53007827) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is [1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID53007827
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCn1cnc(S(=O)(=O)N2CCCC(C(=O)N3CCCC3)C2)c1
InChIInChI=1S/C15H24N4O3S/c1-2-17-11-14(16-12-17)23(21,22)19-9-5-6-13(10-19)15(20)18-7-3-4-8-18/h11-13H,2-10H2,1H3
InChIKeyYBFMAJCCSKSLFN-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylhexyl)-1-(1H-imidazol-4-ylsulfonyl)-3-piperidinecarboxamide
CID 5307411
N-cyclopentyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5308473
N-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53007816
1-{[1-(1H-imidazol-4-ylsulfonyl)piperidin-3-yl]carbonyl}-3,5-dimethylpiperidine
CID 16194491
1-Methyl-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]azepan-2-one
CID 110261959
[(2S,4S)-4-fluoro-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875946
(3aS,6aR)-2-(1-methylimidazol-4-yl)sulfonyl-5-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 91916113
1,9-dimethyl-4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 70720945
4-(Cyclopropylmethyl)-8-[(1-methyl-1H-imidazol-4-YL)sulfonyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one 1-oxide
CID 91909780
(9aR,12aS)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
CID 110199337
N-cyclohexyl-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
CID 110199949
5-(1-Methylimidazol-4-yl)sulfonyl-9-(4-methylpiperazine-1-carbonyl)-1,5-diazacycloundecan-2-one
CID 110199971

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 53007827) is [1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone is CCn1cnc(S(=O)(=O)N2CCCC(C(=O)N3CCCC3)C2)c1.
What is the InChIKey of [1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YBFMAJCCSKSLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-2-17-11-14(16-12-17)23(21,22)19-9-5-6-13(10-19)15(20)18-7-3-4-8-18/h11-13H,2-10H2,1H3.
What are the key properties of [1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 340.45 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53007827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).