(4R)-4-(furan-2-yl)-1-phenyl-4-piperidin-1-ium-1-ylbutan-2-one

C19H24NO2+ — CID 7053456

IUPAC(4R)-4-(furan-2-yl)-1-phenyl-4-piperidin-1-ium-1-ylbutan-2-one
SMILESO=C(Cc1ccccc1)C[C@H](c1ccco1)[NH+]1CCCCC1
InChIInChI=1S/C19H23NO2/c21-17(14-16-8-3-1-4-9-16)15-18(19-10-7-13-22-19)20-11-5-2-6-12-20/h1,3-4,7-10,13,18H,2,5-6,11-12,14-15H2/p+1/t18-/m1/s1
InChIKeyMBHWZWUFOCJSHN-GOSISDBHSA-O
MW298.41 g/mol
LogP2.59
Rot. Bonds6

About (4R)-4-(furan-2-yl)-1-phenyl-4-piperidin-1-ium-1-ylbutan-2-one

(4R)-4-(furan-2-yl)-1-phenyl-4-piperidin-1-ium-1-ylbutan-2-one (PubChem CID 7053456) has the molecular formula C19H24NO2+ and a molecular weight of 298.41 g/mol. Its IUPAC name is (4R)-4-(furan-2-yl)-1-phenyl-4-piperidin-1-ium-1-ylbutan-2-one.

Molecular Properties

Compound Name(4R)-4-(furan-2-yl)-1-phenyl-4-piperidin-1-ium-1-ylbutan-2-one
PubChem CID7053456
Molecular FormulaC19H24NO2+
Molecular Weight298.41 g/mol
Exact Mass298.18
IUPAC Name(4R)-4-(furan-2-yl)-1-phenyl-4-piperidin-1-ium-1-ylbutan-2-one
SMILESO=C(Cc1ccccc1)C[C@H](c1ccco1)[NH+]1CCCCC1
InChIInChI=1S/C19H23NO2/c21-17(14-16-8-3-1-4-9-16)15-18(19-10-7-13-22-19)20-11-5-2-6-12-20/h1,3-4,7-10,13,18H,2,5-6,11-12,14-15H2/p+1/t18-/m1/s1
InChIKeyMBHWZWUFOCJSHN-GOSISDBHSA-O
XLogP2.59
TPSA34.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,2-diphenylacetamide
CID 2470246
N-[2-[[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 2565002
1-benzyl-5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methylpyrazole-4-carboxamide
CID 9461134
N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7780251
1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]thiourea
CID 8787990
1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one
CID 62037011
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-methylsulfonylbenzamide
CID 2481597
1-(4-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]urea
CID 9318401
1,3-diphenyl(213C)propan-2-one
CID 100945080
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(2-methylphenyl)thiourea
CID 8628742
4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide
CID 7719508
2-(4-ethylphenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide
CID 7972555

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(furan-2-yl)-1-phenyl-4-piperidin-1-ium-1-ylbutan-2-one?
The IUPAC name of (4R)-4-(furan-2-yl)-1-phenyl-4-piperidin-1-ium-1-ylbutan-2-one (CID 7053456) is (4R)-4-(furan-2-yl)-1-phenyl-4-piperidin-1-ium-1-ylbutan-2-one.
What is the SMILES notation for (4R)-4-(furan-2-yl)-1-phenyl-4-piperidin-1-ium-1-ylbutan-2-one?
The canonical SMILES for (4R)-4-(furan-2-yl)-1-phenyl-4-piperidin-1-ium-1-ylbutan-2-one is O=C(Cc1ccccc1)C[C@H](c1ccco1)[NH+]1CCCCC1.
What is the InChIKey of (4R)-4-(furan-2-yl)-1-phenyl-4-piperidin-1-ium-1-ylbutan-2-one?
The InChIKey is MBHWZWUFOCJSHN-GOSISDBHSA-O. The full InChI is InChI=1S/C19H23NO2/c21-17(14-16-8-3-1-4-9-16)15-18(19-10-7-13-22-19)20-11-5-2-6-12-20/h1,3-4,7-10,13,18H,2,5-6,11-12,14-15H2/p+1/t18-/m1/s1.
What are the key properties of (4R)-4-(furan-2-yl)-1-phenyl-4-piperidin-1-ium-1-ylbutan-2-one?
(4R)-4-(furan-2-yl)-1-phenyl-4-piperidin-1-ium-1-ylbutan-2-one has a molecular weight of 298.41 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(furan-2-yl)-1-phenyl-4-piperidin-1-ium-1-ylbutan-2-one is sourced from PubChem (CID 7053456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).