2-(1'-cyclopropylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1-morpholin-4-ylethanone

C22H30N2O4S — CID 131647920

IUPAC2-(1'-cyclopropylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1-morpholin-4-ylethanone
SMILESO=C(CC1CC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21)N1CCOCC1
InChIInChI=1S/C22H30N2O4S/c25-21(23-11-13-28-14-12-23)15-17-16-22(20-4-2-1-3-19(17)20)7-9-24(10-8-22)29(26,27)18-5-6-18/h1-4,17-18H,5-16H2
InChIKeyCOEWAYWKMKKSDS-UHFFFAOYSA-N
MW418.56 g/mol
LogP2.25
Rot. Bonds4

About 2-(1'-cyclopropylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1-morpholin-4-ylethanone

2-(1'-cyclopropylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1-morpholin-4-ylethanone (PubChem CID 131647920) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 2-(1'-cyclopropylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(1'-cyclopropylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1-morpholin-4-ylethanone
PubChem CID131647920
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name2-(1'-cyclopropylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1-morpholin-4-ylethanone
SMILESO=C(CC1CC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21)N1CCOCC1
InChIInChI=1S/C22H30N2O4S/c25-21(23-11-13-28-14-12-23)15-17-16-22(20-4-2-1-3-19(17)20)7-9-24(10-8-22)29(26,27)18-5-6-18/h1-4,17-18H,5-16H2
InChIKeyCOEWAYWKMKKSDS-UHFFFAOYSA-N
XLogP2.25
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone
CID 131652878
1-morpholin-4-yl-2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131661049
2-[1'-(furan-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone
CID 131660230
1-morpholin-4-yl-2-[(1S)-1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 97375942
1-morpholin-4-yl-2-[1'-(pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131642800
1-(4-methylpiperazin-1-yl)-2-[1'-(2-methylpropylsulfonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131661558
1-pyrrolidin-1-yl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylethanone
CID 121229522
N,N-diethyl-2-[(1R)-1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97400683
2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide
CID 131646499
2-[1'-(2-cyclopentylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide
CID 131655151
2-[1'-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid
CID 155838931
3,3-dimethyl-1-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one
CID 131657875

Frequently Asked Questions

What is the IUPAC name of 2-(1'-cyclopropylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(1'-cyclopropylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1-morpholin-4-ylethanone (CID 131647920) is 2-(1'-cyclopropylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(1'-cyclopropylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(1'-cyclopropylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1-morpholin-4-ylethanone is O=C(CC1CC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21)N1CCOCC1.
What is the InChIKey of 2-(1'-cyclopropylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is COEWAYWKMKKSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c25-21(23-11-13-28-14-12-23)15-17-16-22(20-4-2-1-3-19(17)20)7-9-24(10-8-22)29(26,27)18-5-6-18/h1-4,17-18H,5-16H2.
What are the key properties of 2-(1'-cyclopropylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1-morpholin-4-ylethanone?
2-(1'-cyclopropylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 418.56 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1'-cyclopropylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 131647920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).