(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one

C20H23N2O4+ — CID 9350088

IUPAC(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one
SMILESO=C(C[C@]1(O)C(=O)N(C[NH+]2CCCCC2)c2ccccc21)c1ccco1
InChIInChI=1S/C20H22N2O4/c23-17(18-9-6-12-26-18)13-20(25)15-7-2-3-8-16(15)22(19(20)24)14-21-10-4-1-5-11-21/h2-3,6-9,12,25H,1,4-5,10-11,13-14H2/p+1/t20-/m1/s1
InChIKeyXFAWNVARYKSITM-HXUWFJFHSA-O
MW355.41 g/mol
LogP1.11
Rot. Bonds5

About (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one

(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one (PubChem CID 9350088) has the molecular formula C20H23N2O4+ and a molecular weight of 355.41 g/mol. Its IUPAC name is (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one.

Molecular Properties

Compound Name(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one
PubChem CID9350088
Molecular FormulaC20H23N2O4+
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one
SMILESO=C(C[C@]1(O)C(=O)N(C[NH+]2CCCCC2)c2ccccc21)c1ccco1
InChIInChI=1S/C20H22N2O4/c23-17(18-9-6-12-26-18)13-20(25)15-7-2-3-8-16(15)22(19(20)24)14-21-10-4-1-5-11-21/h2-3,6-9,12,25H,1,4-5,10-11,13-14H2/p+1/t20-/m1/s1
InChIKeyXFAWNVARYKSITM-HXUWFJFHSA-O
XLogP1.11
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one with MolForge

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Related Compounds

(3R)-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one
CID 6985575
3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one
CID 2938960
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-methylpropyl)indol-2-one
CID 95244730
3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(thiophen-2-ylmethyl)indol-2-one
CID 17131251
(3S)-1-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 95244691
3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
CID 2946406
(3S)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(piperidin-1-ium-1-ylmethyl)indol-2-one
CID 7680395
3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-phenacylindol-2-one
CID 5053139
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one
CID 957833
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[(4-nitrophenyl)methyl]indol-2-one
CID 7353308
(3S)-3-[2-(4-ethylphenyl)-2-oxoethyl]-1-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-3-hydroxyindol-2-one
CID 7583733
(3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(morpholin-4-ium-4-ylmethyl)indol-2-one
CID 7288185

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one?
The IUPAC name of (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one (CID 9350088) is (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one.
What is the SMILES notation for (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one?
The canonical SMILES for (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one is O=C(C[C@]1(O)C(=O)N(C[NH+]2CCCCC2)c2ccccc21)c1ccco1.
What is the InChIKey of (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one?
The InChIKey is XFAWNVARYKSITM-HXUWFJFHSA-O. The full InChI is InChI=1S/C20H22N2O4/c23-17(18-9-6-12-26-18)13-20(25)15-7-2-3-8-16(15)22(19(20)24)14-21-10-4-1-5-11-21/h2-3,6-9,12,25H,1,4-5,10-11,13-14H2/p+1/t20-/m1/s1.
What are the key properties of (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one?
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one has a molecular weight of 355.41 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one is sourced from PubChem (CID 9350088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).