N-[(1R,2R)-2-methoxy-1'-[(2-phenyl-1,3-thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide

C27H31N3O2S — CID 26345479

IUPACN-[(1R,2R)-2-methoxy-1'-[(2-phenyl-1,3-thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
SMILESCCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3cnc(-c4ccccc4)s3)CC2)[C@H]1OC
InChIInChI=1S/C27H31N3O2S/c1-3-23(31)29-24-21-11-7-8-12-22(21)27(25(24)32-2)13-15-30(16-14-27)18-20-17-28-26(33-20)19-9-5-4-6-10-19/h4-12,17,24-25H,3,13-16,18H2,1-2H3,(H,29,31)/t24-,25+/m1/s1
InChIKeyMGHVMSCYUVAQOB-RPBOFIJWSA-N
MW461.63 g/mol
LogP4.94
Rot. Bonds6

About N-[(1R,2R)-2-methoxy-1'-[(2-phenyl-1,3-thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide

N-[(1R,2R)-2-methoxy-1'-[(2-phenyl-1,3-thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide (PubChem CID 26345479) has the molecular formula C27H31N3O2S and a molecular weight of 461.63 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxy-1'-[(2-phenyl-1,3-thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxy-1'-[(2-phenyl-1,3-thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
PubChem CID26345479
Molecular FormulaC27H31N3O2S
Molecular Weight461.63 g/mol
Exact Mass461.21
IUPAC NameN-[(1R,2R)-2-methoxy-1'-[(2-phenyl-1,3-thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
SMILESCCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3cnc(-c4ccccc4)s3)CC2)[C@H]1OC
InChIInChI=1S/C27H31N3O2S/c1-3-23(31)29-24-21-11-7-8-12-22(21)27(25(24)32-2)13-15-30(16-14-27)18-20-17-28-26(33-20)19-9-5-4-6-10-19/h4-12,17,24-25H,3,13-16,18H2,1-2H3,(H,29,31)/t24-,25+/m1/s1
InChIKeyMGHVMSCYUVAQOB-RPBOFIJWSA-N
XLogP4.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2S)-2-methoxy-1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide
CID 133109718
N-[(1R,2R)-2-methoxy-1'-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 126463682
N-[(1R,2R)-2-methoxy-1'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 126463128
N-[(1R,2R)-2-methoxy-1'-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 42319783
N-[(1R,2R)-1'-(1H-imidazol-5-ylmethyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 42276520
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-ethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 42246293
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)-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-phenylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide
CID 26283267
N-[4-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide
CID 134809052
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

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxy-1'-[(2-phenyl-1,3-thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The IUPAC name of 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) is N-[(1R,2R)-2-methoxy-1'-[(2-phenyl-1,3-thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxy-1'-[(2-phenyl-1,3-thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The canonical SMILES for N-[(1R,2R)-2-methoxy-1'-[(2-phenyl-1,3-thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide is CCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3cnc(-c4ccccc4)s3)CC2)[C@H]1OC.
What is the InChIKey of N-[(1R,2R)-2-methoxy-1'-[(2-phenyl-1,3-thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The InChIKey is MGHVMSCYUVAQOB-RPBOFIJWSA-N. The full InChI is InChI=1S/C27H31N3O2S/c1-3-23(31)29-24-21-11-7-8-12-22(21)27(25(24)32-2)13-15-30(16-14-27)18-20-17-28-26(33-20)19-9-5-4-6-10-19/h4-12,17,24-25H,3,13-16,18H2,1-2H3,(H,29,31)/t24-,25+/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxy-1'-[(2-phenyl-1,3-thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
N-[(1R,2R)-2-methoxy-1'-[(2-phenyl-1,3-thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide has a molecular weight of 461.63 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxy-1'-[(2-phenyl-1,3-thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide is sourced from PubChem (CID 26345479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).