2-[(1S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide

C24H32N2OS — CID 97375753

IUPAC2-[(1S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
SMILESCc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NC(C)C)c2ccccc23)s1
InChIInChI=1S/C24H32N2OS/c1-17(2)25-23(27)14-19-15-24(22-7-5-4-6-21(19)22)10-12-26(13-11-24)16-20-9-8-18(3)28-20/h4-9,17,19H,10-16H2,1-3H3,(H,25,27)/t19-/m1/s1
InChIKeyKDRXRHBHXVSHLU-LJQANCHMSA-N
MW396.60 g/mol
LogP4.99
Rot. Bonds5

About 2-[(1S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide

2-[(1S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide (PubChem CID 97375753) has the molecular formula C24H32N2OS and a molecular weight of 396.60 g/mol. Its IUPAC name is 2-[(1S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(1S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
PubChem CID97375753
Molecular FormulaC24H32N2OS
Molecular Weight396.60 g/mol
Exact Mass396.22
IUPAC Name2-[(1S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
SMILESCc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NC(C)C)c2ccccc23)s1
InChIInChI=1S/C24H32N2OS/c1-17(2)25-23(27)14-19-15-24(22-7-5-4-6-21(19)22)10-12-26(13-11-24)16-20-9-8-18(3)28-20/h4-9,17,19H,10-16H2,1-3H3,(H,25,27)/t19-/m1/s1
InChIKeyKDRXRHBHXVSHLU-LJQANCHMSA-N
XLogP4.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1'-acetylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
CID 97400614
(1R)-N,N-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 97375787
N-methyl-2-[1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131657425
2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
CID 97375785
N-methyl-2-[1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131643762
2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide
CID 97375716
N-propan-2-yl-2-[1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131643795
N-cyclopropyl-2-[1'-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133137739
N-propan-2-yl-2-[(4S)-1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376426
N-(cyclopropylmethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376217
N-cyclobutyl-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375895
N,N-dimethyl-2-[(1S)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375833

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(1S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide (CID 97375753) is 2-[(1S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(1S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(1S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide is Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NC(C)C)c2ccccc23)s1.
What is the InChIKey of 2-[(1S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide?
The InChIKey is KDRXRHBHXVSHLU-LJQANCHMSA-N. The full InChI is InChI=1S/C24H32N2OS/c1-17(2)25-23(27)14-19-15-24(22-7-5-4-6-21(19)22)10-12-26(13-11-24)16-20-9-8-18(3)28-20/h4-9,17,19H,10-16H2,1-3H3,(H,25,27)/t19-/m1/s1.
What are the key properties of 2-[(1S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide?
2-[(1S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide has a molecular weight of 396.60 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 97375753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).