2,2-difluoro-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(oxolan-3-yl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone;6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole

C65H72F6N10O6S — CID 159806419

IUPAC2,2-difluoro-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(oxolan-3-yl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone;6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole
SMILESCS(=O)(=O)N1CCC(C2CNc3cc(F)ccc32)CC1.O=C(C(F)F)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.O=C(C1CCOC1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.O=C(c1cnccn1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C18H17FN4O.C18H21FN2O2.C15H15F3N2O.C14H19FN2O2S/c19-13-1-2-14-15(10-22-16(14)9-13)12-3-7-23(8-4-12)18(24)17-11-20-5-6-21-17;19-14-1-2-15-16(10-20-17(15)9-14)12-3-6-21(7-4-12)18(22)13-5-8-23-11-13;16-10-1-2-11-12(8-19-13(11)7-10)9-3-5-20(6-4-9)15(21)14(17)18;1-20(18,19)17-6-4-10(5-7-17)13-9-16-14-8-11(15)2-3-12(13)14/h1-2,5-6,9-12,22H,3-4,7-8H2;1-2,9-10,12-13,20H,3-8,11H2;1-2,7-9,14,19H,3-6H2;2-3,8,10,13,16H,4-7,9H2,1H3
InChIKeyNKLMHARQEGXZLF-UHFFFAOYSA-N
MW1235.41 g/mol
LogP11.45
Rot. Bonds8

About 2,2-difluoro-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(oxolan-3-yl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone;6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole

2,2-difluoro-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(oxolan-3-yl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone;6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole (PubChem CID 159806419) has the molecular formula C65H72F6N10O6S and a molecular weight of 1235.41 g/mol. Its IUPAC name is 2,2-difluoro-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(oxolan-3-yl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone;6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2,2-difluoro-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(oxolan-3-yl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone;6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole
PubChem CID159806419
Molecular FormulaC65H72F6N10O6S
Molecular Weight1235.41 g/mol
Exact Mass1234.53
IUPAC Name2,2-difluoro-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(oxolan-3-yl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone;6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole
SMILESCS(=O)(=O)N1CCC(C2CNc3cc(F)ccc32)CC1.O=C(C(F)F)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.O=C(C1CCOC1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.O=C(c1cnccn1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C18H17FN4O.C18H21FN2O2.C15H15F3N2O.C14H19FN2O2S/c19-13-1-2-14-15(10-22-16(14)9-13)12-3-7-23(8-4-12)18(24)17-11-20-5-6-21-17;19-14-1-2-15-16(10-20-17(15)9-14)12-3-6-21(7-4-12)18(22)13-5-8-23-11-13;16-10-1-2-11-12(8-19-13(11)7-10)9-3-5-20(6-4-9)15(21)14(17)18;1-20(18,19)17-6-4-10(5-7-17)13-9-16-14-8-11(15)2-3-12(13)14/h1-2,5-6,9-12,22H,3-4,7-8H2;1-2,9-10,12-13,20H,3-8,11H2;1-2,7-9,14,19H,3-6H2;2-3,8,10,13,16H,4-7,9H2,1H3
InChIKeyNKLMHARQEGXZLF-UHFFFAOYSA-N
XLogP11.45
TPSA192.72 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001235.41
LogP ≤ 511.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2,2-difluoro-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(oxolan-3-yl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone;6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(oxolan-3-yl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone;6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 2,2-difluoro-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(oxolan-3-yl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone;6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole (CID 159806419) is 2,2-difluoro-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(oxolan-3-yl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone;6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2,2-difluoro-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(oxolan-3-yl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone;6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2,2-difluoro-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(oxolan-3-yl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone;6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole is CS(=O)(=O)N1CCC(C2CNc3cc(F)ccc32)CC1.O=C(C(F)F)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.O=C(C1CCOC1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.O=C(c1cnccn1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 2,2-difluoro-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(oxolan-3-yl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone;6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole?
The InChIKey is NKLMHARQEGXZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O.C18H21FN2O2.C15H15F3N2O.C14H19FN2O2S/c19-13-1-2-14-15(10-22-16(14)9-13)12-3-7-23(8-4-12)18(24)17-11-20-5-6-21-17;19-14-1-2-15-16(10-20-17(15)9-14)12-3-6-21(7-4-12)18(22)13-5-8-23-11-13;16-10-1-2-11-12(8-19-13(11)7-10)9-3-5-20(6-4-9)15(21)14(17)18;1-20(18,19)17-6-4-10(5-7-17)13-9-16-14-8-11(15)2-3-12(13)14/h1-2,5-6,9-12,22H,3-4,7-8H2;1-2,9-10,12-13,20H,3-8,11H2;1-2,7-9,14,19H,3-6H2;2-3,8,10,13,16H,4-7,9H2,1H3.
What are the key properties of 2,2-difluoro-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(oxolan-3-yl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone;6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole?
2,2-difluoro-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(oxolan-3-yl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone;6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole has a molecular weight of 1235.41 g/mol, XLogP of 11.45, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(oxolan-3-yl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone;6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 159806419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).