N-[(1R,2R)-2-hydroxy-1'-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide

C25H27N3O5 — CID 118757402

IUPACN-[(1R,2R)-2-hydroxy-1'-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
SMILESO=C(N[C@@H]1c2ccccc2C2(CCN(C(=O)CN3CCOC3=O)CC2)[C@H]1O)c1ccccc1
InChIInChI=1S/C25H27N3O5/c29-20(16-28-14-15-33-24(28)32)27-12-10-25(11-13-27)19-9-5-4-8-18(19)21(22(25)30)26-23(31)17-6-2-1-3-7-17/h1-9,21-22,30H,10-16H2,(H,26,31)/t21-,22+/m1/s1
InChIKeyFCOYOODRMFFUBL-YADHBBJMSA-N
MW449.51 g/mol
LogP1.84
Rot. Bonds4

About N-[(1R,2R)-2-hydroxy-1'-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide

N-[(1R,2R)-2-hydroxy-1'-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide (PubChem CID 118757402) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-1'-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-1'-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
PubChem CID118757402
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC NameN-[(1R,2R)-2-hydroxy-1'-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
SMILESO=C(N[C@@H]1c2ccccc2C2(CCN(C(=O)CN3CCOC3=O)CC2)[C@H]1O)c1ccccc1
InChIInChI=1S/C25H27N3O5/c29-20(16-28-14-15-33-24(28)32)27-12-10-25(11-13-27)19-9-5-4-8-18(19)21(22(25)30)26-23(31)17-6-2-1-3-7-17/h1-9,21-22,30H,10-16H2,(H,26,31)/t21-,22+/m1/s1
InChIKeyFCOYOODRMFFUBL-YADHBBJMSA-N
XLogP1.84
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R)-2-hydroxy-1'-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-1'-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-1'-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide (CID 118757402) is N-[(1R,2R)-2-hydroxy-1'-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-1'-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-1'-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide is O=C(N[C@@H]1c2ccccc2C2(CCN(C(=O)CN3CCOC3=O)CC2)[C@H]1O)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-1'-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
The InChIKey is FCOYOODRMFFUBL-YADHBBJMSA-N. The full InChI is InChI=1S/C25H27N3O5/c29-20(16-28-14-15-33-24(28)32)27-12-10-25(11-13-27)19-9-5-4-8-18(19)21(22(25)30)26-23(31)17-6-2-1-3-7-17/h1-9,21-22,30H,10-16H2,(H,26,31)/t21-,22+/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-1'-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
N-[(1R,2R)-2-hydroxy-1'-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide has a molecular weight of 449.51 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-1'-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide is sourced from PubChem (CID 118757402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).