(2S,3S,6S)-3-ethyl-2,6-bis(furan-2-yl)piperidin-1-ium-4-one

C15H18NO3+ — CID 7310286

IUPAC(2S,3S,6S)-3-ethyl-2,6-bis(furan-2-yl)piperidin-1-ium-4-one
SMILESCC[C@@H]1C(=O)C[C@@H](c2ccco2)[NH2+][C@@H]1c1ccco1
InChIInChI=1S/C15H17NO3/c1-2-10-12(17)9-11(13-5-3-7-18-13)16-15(10)14-6-4-8-19-14/h3-8,10-11,15-16H,2,9H2,1H3/p+1/t10-,11+,15+/m1/s1
InChIKeyRGNPXEMHSDVXIB-ZETOZRRWSA-O
MW260.31 g/mol
LogP2.22
Rot. Bonds3

About (2S,3S,6S)-3-ethyl-2,6-bis(furan-2-yl)piperidin-1-ium-4-one

(2S,3S,6S)-3-ethyl-2,6-bis(furan-2-yl)piperidin-1-ium-4-one (PubChem CID 7310286) has the molecular formula C15H18NO3+ and a molecular weight of 260.31 g/mol. Its IUPAC name is (2S,3S,6S)-3-ethyl-2,6-bis(furan-2-yl)piperidin-1-ium-4-one.

Molecular Properties

Compound Name(2S,3S,6S)-3-ethyl-2,6-bis(furan-2-yl)piperidin-1-ium-4-one
PubChem CID7310286
Molecular FormulaC15H18NO3+
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name(2S,3S,6S)-3-ethyl-2,6-bis(furan-2-yl)piperidin-1-ium-4-one
SMILESCC[C@@H]1C(=O)C[C@@H](c2ccco2)[NH2+][C@@H]1c1ccco1
InChIInChI=1S/C15H17NO3/c1-2-10-12(17)9-11(13-5-3-7-18-13)16-15(10)14-6-4-8-19-14/h3-8,10-11,15-16H,2,9H2,1H3/p+1/t10-,11+,15+/m1/s1
InChIKeyRGNPXEMHSDVXIB-ZETOZRRWSA-O
XLogP2.22
TPSA59.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R,6S)-3-ethyl-2,6-bis(furan-2-yl)piperidin-1-ium-4-one
CID 7310281
(NE)-N-[(2R,3R,6S)-2,6-bis(furan-2-yl)-3-methylpiperidin-1-ium-4-ylidene]hydroxylamine
CID 7340420
2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-1-ium-4-ol
CID 4921181
(2S,3S,6S)-2,6-bis(furan-2-yl)-3-propylpiperidin-4-one
CID 1239416
(2R,3R,6S)-3-ethyl-2,6-bis(4-nitrophenyl)piperidin-1-ium-4-one
CID 7392901
(2S,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-1-ium-4-ol
CID 7560613
2-(furan-2-yl)-1-methylpyrrolidin-3-one
CID 83826796
(4S)-5-acetyl-4-(furan-2-yl)-6-methyl-3,4-dihydropyran-2-one
CID 132597033
5-(furan-2-yl)-3-(oxomethylidene)oxolan-2-one
CID 86741509
4-(furan-2-yl)-5-methylpyrrolidin-2-one
CID 66108911
3-ethyl-2-(furan-2-yl)-1,3-thiazolidin-4-one
CID 3800198
1-ethyl-2-(furan-2-yl)imidazolidin-4-one
CID 130626514

Frequently Asked Questions

What is the IUPAC name of (2S,3S,6S)-3-ethyl-2,6-bis(furan-2-yl)piperidin-1-ium-4-one?
The IUPAC name of (2S,3S,6S)-3-ethyl-2,6-bis(furan-2-yl)piperidin-1-ium-4-one (CID 7310286) is (2S,3S,6S)-3-ethyl-2,6-bis(furan-2-yl)piperidin-1-ium-4-one.
What is the SMILES notation for (2S,3S,6S)-3-ethyl-2,6-bis(furan-2-yl)piperidin-1-ium-4-one?
The canonical SMILES for (2S,3S,6S)-3-ethyl-2,6-bis(furan-2-yl)piperidin-1-ium-4-one is CC[C@@H]1C(=O)C[C@@H](c2ccco2)[NH2+][C@@H]1c1ccco1.
What is the InChIKey of (2S,3S,6S)-3-ethyl-2,6-bis(furan-2-yl)piperidin-1-ium-4-one?
The InChIKey is RGNPXEMHSDVXIB-ZETOZRRWSA-O. The full InChI is InChI=1S/C15H17NO3/c1-2-10-12(17)9-11(13-5-3-7-18-13)16-15(10)14-6-4-8-19-14/h3-8,10-11,15-16H,2,9H2,1H3/p+1/t10-,11+,15+/m1/s1.
What are the key properties of (2S,3S,6S)-3-ethyl-2,6-bis(furan-2-yl)piperidin-1-ium-4-one?
(2S,3S,6S)-3-ethyl-2,6-bis(furan-2-yl)piperidin-1-ium-4-one has a molecular weight of 260.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6S)-3-ethyl-2,6-bis(furan-2-yl)piperidin-1-ium-4-one is sourced from PubChem (CID 7310286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).