N-[(1S,2S)-1'-(2,3-dihydro-1H-inden-2-yl)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide

C30H32N2O3 — CID 133134918

IUPACN-[(1S,2S)-1'-(2,3-dihydro-1H-inden-2-yl)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N[C@H]1c2ccccc2C2(CCN(C3Cc4ccccc4C3)CC2)[C@@H]1O
InChIInChI=1S/C30H32N2O3/c33-27(20-35-24-10-2-1-3-11-24)31-28-25-12-6-7-13-26(25)30(29(28)34)14-16-32(17-15-30)23-18-21-8-4-5-9-22(21)19-23/h1-13,23,28-29,34H,14-20H2,(H,31,33)/t28-,29+/m0/s1
InChIKeyMUBVMJZSQYPPKN-URLMMPGGSA-N
MW468.60 g/mol
LogP3.80
Rot. Bonds5

About N-[(1S,2S)-1'-(2,3-dihydro-1H-inden-2-yl)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide

N-[(1S,2S)-1'-(2,3-dihydro-1H-inden-2-yl)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide (PubChem CID 133134918) has the molecular formula C30H32N2O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[(1S,2S)-1'-(2,3-dihydro-1H-inden-2-yl)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(1S,2S)-1'-(2,3-dihydro-1H-inden-2-yl)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide
PubChem CID133134918
Molecular FormulaC30H32N2O3
Molecular Weight468.60 g/mol
Exact Mass468.24
IUPAC NameN-[(1S,2S)-1'-(2,3-dihydro-1H-inden-2-yl)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N[C@H]1c2ccccc2C2(CCN(C3Cc4ccccc4C3)CC2)[C@@H]1O
InChIInChI=1S/C30H32N2O3/c33-27(20-35-24-10-2-1-3-11-24)31-28-25-12-6-7-13-26(25)30(29(28)34)14-16-32(17-15-30)23-18-21-8-4-5-9-22(21)19-23/h1-13,23,28-29,34H,14-20H2,(H,31,33)/t28-,29+/m0/s1
InChIKeyMUBVMJZSQYPPKN-URLMMPGGSA-N
XLogP3.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S,2S)-1'-(2,3-dihydro-1H-inden-2-yl)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1'-(2,3-dihydro-1H-inden-2-yl)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide?
The IUPAC name of N-[(1S,2S)-1'-(2,3-dihydro-1H-inden-2-yl)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide (CID 133134918) is N-[(1S,2S)-1'-(2,3-dihydro-1H-inden-2-yl)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(1S,2S)-1'-(2,3-dihydro-1H-inden-2-yl)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[(1S,2S)-1'-(2,3-dihydro-1H-inden-2-yl)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)N[C@H]1c2ccccc2C2(CCN(C3Cc4ccccc4C3)CC2)[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-1'-(2,3-dihydro-1H-inden-2-yl)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide?
The InChIKey is MUBVMJZSQYPPKN-URLMMPGGSA-N. The full InChI is InChI=1S/C30H32N2O3/c33-27(20-35-24-10-2-1-3-11-24)31-28-25-12-6-7-13-26(25)30(29(28)34)14-16-32(17-15-30)23-18-21-8-4-5-9-22(21)19-23/h1-13,23,28-29,34H,14-20H2,(H,31,33)/t28-,29+/m0/s1.
What are the key properties of N-[(1S,2S)-1'-(2,3-dihydro-1H-inden-2-yl)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide?
N-[(1S,2S)-1'-(2,3-dihydro-1H-inden-2-yl)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide has a molecular weight of 468.60 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1'-(2,3-dihydro-1H-inden-2-yl)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide is sourced from PubChem (CID 133134918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).