N-[(1S,2S)-2-methoxy-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide

C27H30N2O2S — CID 133109718

IUPACN-[(1S,2S)-2-methoxy-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide
SMILESCO[C@@H]1[C@@H](NC(=O)Cc2ccccc2)c2ccccc2C12CCN(Cc1cccs1)CC2
InChIInChI=1S/C27H30N2O2S/c1-31-26-25(28-24(30)18-20-8-3-2-4-9-20)22-11-5-6-12-23(22)27(26)13-15-29(16-14-27)19-21-10-7-17-32-21/h2-12,17,25-26H,13-16,18-19H2,1H3,(H,28,30)/t25-,26+/m0/s1
InChIKeyGJIDUGYLPVRXBE-IZZNHLLZSA-N
MW446.62 g/mol
LogP4.71
Rot. Bonds6

About N-[(1S,2S)-2-methoxy-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide

N-[(1S,2S)-2-methoxy-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide (PubChem CID 133109718) has the molecular formula C27H30N2O2S and a molecular weight of 446.62 g/mol. Its IUPAC name is N-[(1S,2S)-2-methoxy-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methoxy-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide
PubChem CID133109718
Molecular FormulaC27H30N2O2S
Molecular Weight446.62 g/mol
Exact Mass446.20
IUPAC NameN-[(1S,2S)-2-methoxy-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide
SMILESCO[C@@H]1[C@@H](NC(=O)Cc2ccccc2)c2ccccc2C12CCN(Cc1cccs1)CC2
InChIInChI=1S/C27H30N2O2S/c1-31-26-25(28-24(30)18-20-8-3-2-4-9-20)22-11-5-6-12-23(22)27(26)13-15-29(16-14-27)19-21-10-7-17-32-21/h2-12,17,25-26H,13-16,18-19H2,1H3,(H,28,30)/t25-,26+/m0/s1
InChIKeyGJIDUGYLPVRXBE-IZZNHLLZSA-N
XLogP4.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-methoxy-1'-(3-phenylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide
CID 26283267
N-[(1R,2R)-2-methoxy-1'-(3-methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide
CID 42372652
N-[(1R,2R)-2-methoxy-1'-(3-phenylprop-2-ynyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide
CID 42449927
N-[(1S,2S)-1'-[(5-chloro-2-hydroxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide
CID 133129328
N-[(1R,2R)-2-methoxy-1'-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide
CID 42165398
N-[(1R,2R)-2-methoxy-1'-(2-phenylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 118756510
N-[(1R,2R)-2-methoxy-1'-[(2-phenyl-1,3-thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 26345479
N-[(1R,2R)-1'-(3,3-dimethylbutanoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide
CID 42449603
N-[(1R,2R)-1'-[(3,5-dimethoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 26281951
N-[(1R,2R)-1'-[(2,6-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide
CID 42379197
N-[(1R,2R)-2-methoxy-1'-(naphthalen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 42380929
N-[(1R,2R)-2-methoxy-1'-(3-methylbenzoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide
CID 42247970

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methoxy-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide?
The IUPAC name of N-[(1S,2S)-2-methoxy-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide (CID 133109718) is N-[(1S,2S)-2-methoxy-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(1S,2S)-2-methoxy-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide?
The canonical SMILES for N-[(1S,2S)-2-methoxy-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide is CO[C@@H]1[C@@H](NC(=O)Cc2ccccc2)c2ccccc2C12CCN(Cc1cccs1)CC2.
What is the InChIKey of N-[(1S,2S)-2-methoxy-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide?
The InChIKey is GJIDUGYLPVRXBE-IZZNHLLZSA-N. The full InChI is InChI=1S/C27H30N2O2S/c1-31-26-25(28-24(30)18-20-8-3-2-4-9-20)22-11-5-6-12-23(22)27(26)13-15-29(16-14-27)19-21-10-7-17-32-21/h2-12,17,25-26H,13-16,18-19H2,1H3,(H,28,30)/t25-,26+/m0/s1.
What are the key properties of N-[(1S,2S)-2-methoxy-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide?
N-[(1S,2S)-2-methoxy-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide has a molecular weight of 446.62 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methoxy-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide is sourced from PubChem (CID 133109718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).