(2S,3S,6S)-2,6-bis(furan-2-yl)-3-propylpiperidin-4-one

C16H19NO3 — CID 1239416

IUPAC(2S,3S,6S)-2,6-bis(furan-2-yl)-3-propylpiperidin-4-one
SMILESCCC[C@@H]1C(=O)C[C@@H](c2ccco2)N[C@@H]1c1ccco1
InChIInChI=1S/C16H19NO3/c1-2-5-11-13(18)10-12(14-6-3-8-19-14)17-16(11)15-7-4-9-20-15/h3-4,6-9,11-12,16-17H,2,5,10H2,1H3/t11-,12+,16+/m1/s1
InChIKeyLFJPCHSRZIMWGY-WQGACYEGSA-N
MW273.33 g/mol
LogP3.63
Rot. Bonds4

About (2S,3S,6S)-2,6-bis(furan-2-yl)-3-propylpiperidin-4-one

(2S,3S,6S)-2,6-bis(furan-2-yl)-3-propylpiperidin-4-one (PubChem CID 1239416) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2S,3S,6S)-2,6-bis(furan-2-yl)-3-propylpiperidin-4-one.

Molecular Properties

Compound Name(2S,3S,6S)-2,6-bis(furan-2-yl)-3-propylpiperidin-4-one
PubChem CID1239416
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(2S,3S,6S)-2,6-bis(furan-2-yl)-3-propylpiperidin-4-one
SMILESCCC[C@@H]1C(=O)C[C@@H](c2ccco2)N[C@@H]1c1ccco1
InChIInChI=1S/C16H19NO3/c1-2-5-11-13(18)10-12(14-6-3-8-19-14)17-16(11)15-7-4-9-20-15/h3-4,6-9,11-12,16-17H,2,5,10H2,1H3/t11-,12+,16+/m1/s1
InChIKeyLFJPCHSRZIMWGY-WQGACYEGSA-N
XLogP3.63
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4R,6S)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol
CID 7177283
(2R,3R,4R,6R)-2,6-bis(furan-2-yl)-4-methyl-3-propylpiperidin-4-ol
CID 40627379
(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-propylpiperidin-4-one
CID 7104544
(NE)-N-[(2S,3R,6R)-2,6-bis(furan-2-yl)-3-methylpiperidin-4-ylidene]hydroxylamine
CID 6543489
3-butyl-2,6-diphenylpiperidin-4-one
CID 13185090
(2R,3S,4R,6S)-2,6-bis(furan-2-yl)-4-prop-2-enyl-3-propylpiperidin-4-ol
CID 7560607
(2S,3S,6S)-3-ethyl-2,6-bis(furan-2-yl)piperidin-1-ium-4-one
CID 7310286
(2R,3R,6S)-3-ethyl-2,6-bis(furan-2-yl)piperidin-1-ium-4-one
CID 7310281
2-(4-propylcyclohexyl)furan
CID 174853183
(2S,3R,6R)-3-(2-chloroethyl)-2,6-diphenylpiperidin-4-one
CID 139088514
3-(furan-2-yl)-2,5,5-trimethyl-1,4-thiazinane 1-oxide
CID 66231336
3-(furan-2-yl)-2,5-dimethyl-1,4-thiazepane 1,1-dioxide
CID 66234442

Frequently Asked Questions

What is the IUPAC name of (2S,3S,6S)-2,6-bis(furan-2-yl)-3-propylpiperidin-4-one?
The IUPAC name of (2S,3S,6S)-2,6-bis(furan-2-yl)-3-propylpiperidin-4-one (CID 1239416) is (2S,3S,6S)-2,6-bis(furan-2-yl)-3-propylpiperidin-4-one.
What is the SMILES notation for (2S,3S,6S)-2,6-bis(furan-2-yl)-3-propylpiperidin-4-one?
The canonical SMILES for (2S,3S,6S)-2,6-bis(furan-2-yl)-3-propylpiperidin-4-one is CCC[C@@H]1C(=O)C[C@@H](c2ccco2)N[C@@H]1c1ccco1.
What is the InChIKey of (2S,3S,6S)-2,6-bis(furan-2-yl)-3-propylpiperidin-4-one?
The InChIKey is LFJPCHSRZIMWGY-WQGACYEGSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-5-11-13(18)10-12(14-6-3-8-19-14)17-16(11)15-7-4-9-20-15/h3-4,6-9,11-12,16-17H,2,5,10H2,1H3/t11-,12+,16+/m1/s1.
What are the key properties of (2S,3S,6S)-2,6-bis(furan-2-yl)-3-propylpiperidin-4-one?
(2S,3S,6S)-2,6-bis(furan-2-yl)-3-propylpiperidin-4-one has a molecular weight of 273.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6S)-2,6-bis(furan-2-yl)-3-propylpiperidin-4-one is sourced from PubChem (CID 1239416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).