(5R)-5-[[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one

C23H25N3O2 — CID 124777878

IUPAC(5R)-5-[[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](CN2CCCC[C@H]2c2cc3ccccc3[nH]2)CN1c1ccccc1
InChIInChI=1S/C23H25N3O2/c27-23-26(18-9-2-1-3-10-18)16-19(28-23)15-25-13-7-6-12-22(25)21-14-17-8-4-5-11-20(17)24-21/h1-5,8-11,14,19,22,24H,6-7,12-13,15-16H2/t19-,22+/m1/s1
InChIKeyAVMRGZGIBIDZSR-KNQAVFIVSA-N
MW375.47 g/mol
LogP4.72
Rot. Bonds4

About (5R)-5-[[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one

(5R)-5-[[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 124777878) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (5R)-5-[[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
PubChem CID124777878
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(5R)-5-[[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](CN2CCCC[C@H]2c2cc3ccccc3[nH]2)CN1c1ccccc1
InChIInChI=1S/C23H25N3O2/c27-23-26(18-9-2-1-3-10-18)16-19(28-23)15-25-13-7-6-12-22(25)21-14-17-8-4-5-11-20(17)24-21/h1-5,8-11,14,19,22,24H,6-7,12-13,15-16H2/t19-,22+/m1/s1
InChIKeyAVMRGZGIBIDZSR-KNQAVFIVSA-N
XLogP4.72
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-5-[[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-[(2-benzylpiperidin-1-yl)methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 14368948
3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid
CID 124704455
[3-[[2-(1H-indol-2-yl)piperidin-1-yl]methyl]oxetan-3-yl]methanol
CID 111976743
2-[1-[(3-methyl-4-piperidin-1-ylphenyl)methyl]piperidin-2-yl]-1H-indole
CID 146096191
2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 95324295
[2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113089008
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113089000
(5R)-5-(chloromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11310370
5-(fluoromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 555364
3-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 95322772
ethyl 1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-2-carboxylate
CID 151204271
1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 19439069

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one (CID 124777878) is (5R)-5-[[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one is O=C1O[C@H](CN2CCCC[C@H]2c2cc3ccccc3[nH]2)CN1c1ccccc1.
What is the InChIKey of (5R)-5-[[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is AVMRGZGIBIDZSR-KNQAVFIVSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-23-26(18-9-2-1-3-10-18)16-19(28-23)15-25-13-7-6-12-22(25)21-14-17-8-4-5-11-20(17)24-21/h1-5,8-11,14,19,22,24H,6-7,12-13,15-16H2/t19-,22+/m1/s1.
What are the key properties of (5R)-5-[[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
(5R)-5-[[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 375.47 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 124777878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).