2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone

C18H25N3O4S — CID 22552708

IUPAC2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(S(=O)(=O)N2CCOCC2)C1)N1CCc2ccccc21
InChIInChI=1S/C18H25N3O4S/c22-18(21-9-7-15-4-1-2-6-17(15)21)16-5-3-8-20(14-16)26(23,24)19-10-12-25-13-11-19/h1-2,4,6,16H,3,5,7-14H2
InChIKeyVENXNHQRJXKMGJ-UHFFFAOYSA-N
MW379.48 g/mol
LogP0.86
Rot. Bonds3

About 2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone

2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone (PubChem CID 22552708) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
PubChem CID22552708
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(S(=O)(=O)N2CCOCC2)C1)N1CCc2ccccc21
InChIInChI=1S/C18H25N3O4S/c22-18(21-9-7-15-4-1-2-6-17(15)21)16-5-3-8-20(14-16)26(23,24)19-10-12-25-13-11-19/h1-2,4,6,16H,3,5,7-14H2
InChIKeyVENXNHQRJXKMGJ-UHFFFAOYSA-N
XLogP0.86
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 39894254
2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone
CID 51943375
(1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 90513387
(1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 6472541
[(3S)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 40782946
2,3-dihydroindol-1-yl-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1445023
azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
CID 22552707
[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 30329086
3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]methanone
CID 110335894
3,4-dihydro-2H-quinolin-1-yl(oxan-3-yl)methanone
CID 71879683
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
2,3-dihydroindol-1-yl-[(3S)-1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidin-3-yl]methanone
CID 94243870

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone (CID 22552708) is 2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone is O=C(C1CCCN(S(=O)(=O)N2CCOCC2)C1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone?
The InChIKey is VENXNHQRJXKMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c22-18(21-9-7-15-4-1-2-6-17(15)21)16-5-3-8-20(14-16)26(23,24)19-10-12-25-13-11-19/h1-2,4,6,16H,3,5,7-14H2.
What are the key properties of 2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone?
2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone has a molecular weight of 379.48 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone is sourced from PubChem (CID 22552708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).