2-[(1S)-1'-acetylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide

C20H28N2O2 — CID 97400614

IUPAC2-[(1S)-1'-acetylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
SMILESCC(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC(C)C)c1ccccc12
InChIInChI=1S/C20H28N2O2/c1-14(2)21-19(24)12-16-13-20(18-7-5-4-6-17(16)18)8-10-22(11-9-20)15(3)23/h4-7,14,16H,8-13H2,1-3H3,(H,21,24)/t16-/m1/s1
InChIKeyZMCXXDHFTCSLFY-MRXNPFEDSA-N
MW328.46 g/mol
LogP2.97
Rot. Bonds3

About 2-[(1S)-1'-acetylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide

2-[(1S)-1'-acetylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide (PubChem CID 97400614) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[(1S)-1'-acetylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(1S)-1'-acetylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
PubChem CID97400614
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-[(1S)-1'-acetylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
SMILESCC(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC(C)C)c1ccccc12
InChIInChI=1S/C20H28N2O2/c1-14(2)21-19(24)12-16-13-20(18-7-5-4-6-17(16)18)8-10-22(11-9-20)15(3)23/h4-7,14,16H,8-13H2,1-3H3,(H,21,24)/t16-/m1/s1
InChIKeyZMCXXDHFTCSLFY-MRXNPFEDSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N,N-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 97375787
2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
CID 97375785
2-[(1S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
CID 97375753
1-[2-(cyclobutylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 131661630
(1S)-1-[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 97376139
1-(2-methoxy-2-oxoethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954267
N-methyl-2-[1'-(2-methylpropylsulfonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131658314
2-[1'-(2-cyclopentylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide
CID 131655151
2-[1'-(cyclohexanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide
CID 131646569
N-methyl-2-[1'-(thiophene-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131642110
N-cyclobutyl-2-[1'-(oxane-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131650515
N-cyclobutyl-2-[(1S)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375907

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1'-acetylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(1S)-1'-acetylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide (CID 97400614) is 2-[(1S)-1'-acetylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(1S)-1'-acetylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(1S)-1'-acetylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide is CC(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC(C)C)c1ccccc12.
What is the InChIKey of 2-[(1S)-1'-acetylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide?
The InChIKey is ZMCXXDHFTCSLFY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14(2)21-19(24)12-16-13-20(18-7-5-4-6-17(16)18)8-10-22(11-9-20)15(3)23/h4-7,14,16H,8-13H2,1-3H3,(H,21,24)/t16-/m1/s1.
What are the key properties of 2-[(1S)-1'-acetylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide?
2-[(1S)-1'-acetylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide has a molecular weight of 328.46 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1'-acetylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 97400614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).