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

C18H25N3O4S — CID 3241125

IUPAC2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCc2ccccc21
InChIInChI=1S/C18H25N3O4S/c22-18(21-10-7-15-3-1-2-4-17(15)21)16-5-8-19(9-6-16)26(23,24)20-11-13-25-14-12-20/h1-4,16H,5-14H2
InChIKeySRZNHWNHPDRJKC-UHFFFAOYSA-N
MW379.48 g/mol
LogP0.86
Rot. Bonds3

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

2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-4-yl)methanone (PubChem CID 3241125) 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-4-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-4-yl)methanone
PubChem CID3241125
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCc2ccccc21
InChIInChI=1S/C18H25N3O4S/c22-18(21-10-7-15-3-1-2-4-17(15)21)16-5-8-19(9-6-16)26(23,24)20-11-13-25-14-12-20/h1-4,16H,5-14H2
InChIKeySRZNHWNHPDRJKC-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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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-4-yl)methanone (CID 3241125) is 2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-4-yl)methanone is O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-4-yl)methanone?
The InChIKey is SRZNHWNHPDRJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c22-18(21-10-7-15-3-1-2-4-17(15)21)16-5-8-19(9-6-16)26(23,24)20-11-13-25-14-12-20/h1-4,16H,5-14H2.
What are the key properties of 2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-4-yl)methanone?
2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-4-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-4-yl)methanone is sourced from PubChem (CID 3241125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).