N,N-diethyl-2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide

C21H32N2O3S — CID 131651770

IUPACN,N-diethyl-2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide
SMILESCCN(CC)C(=O)CC1CC2(CCN(S(=O)(=O)CC)CC2)c2ccccc21
InChIInChI=1S/C21H32N2O3S/c1-4-22(5-2)20(24)15-17-16-21(19-10-8-7-9-18(17)19)11-13-23(14-12-21)27(25,26)6-3/h7-10,17H,4-6,11-16H2,1-3H3
InChIKeyDHWRKVBBWJSVAN-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.12
Rot. Bonds6

About N,N-diethyl-2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide

N,N-diethyl-2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide (PubChem CID 131651770) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is N,N-diethyl-2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide
PubChem CID131651770
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC NameN,N-diethyl-2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide
SMILESCCN(CC)C(=O)CC1CC2(CCN(S(=O)(=O)CC)CC2)c2ccccc21
InChIInChI=1S/C21H32N2O3S/c1-4-22(5-2)20(24)15-17-16-21(19-10-8-7-9-18(17)19)11-13-23(14-12-21)27(25,26)6-3/h7-10,17H,4-6,11-16H2,1-3H3
InChIKeyDHWRKVBBWJSVAN-UHFFFAOYSA-N
XLogP3.12
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide
CID 131646499
2-[(1S)-1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-diethylacetamide
CID 97376186
N,N-diethyl-2-[(1R)-1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97400683
N,N-diethyl-2-[1'-(1-methylpyrrole-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131661496
N,N-diethyl-2-[(1S)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97376154
N,N-diethyl-2-[1'-(2-methylfuran-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131644637
N,N-diethyl-2-[1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155837322
N-methyl-2-[1'-(2-methylpropylsulfonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131658314
1-(4-methylpiperazin-1-yl)-2-[1'-(2-methylpropylsulfonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131661558
2-[(4S)-1'-ethylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide
CID 97376317
N,N-dimethyl-2-[(1S)-1'-pyrimidin-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97452698
N,N-dimethyl-2-[1'-(pyridine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131649138

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide (CID 131651770) is N,N-diethyl-2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide is CCN(CC)C(=O)CC1CC2(CCN(S(=O)(=O)CC)CC2)c2ccccc21.
What is the InChIKey of N,N-diethyl-2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide?
The InChIKey is DHWRKVBBWJSVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3S/c1-4-22(5-2)20(24)15-17-16-21(19-10-8-7-9-18(17)19)11-13-23(14-12-21)27(25,26)6-3/h7-10,17H,4-6,11-16H2,1-3H3.
What are the key properties of N,N-diethyl-2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide?
N,N-diethyl-2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide has a molecular weight of 392.57 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide is sourced from PubChem (CID 131651770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).