2-cyclopropyl-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one;6-fluoro-3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole

C72H87F4N11O9S2 — CID 159301517

IUPAC2-cyclopropyl-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one;6-fluoro-3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole
SMILESCOCCN1CC(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)CC1=O.COCCS(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.Cn1cc(S(=O)(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cn1.O=C(CC1CC1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C21H26FN3O3.C18H21FN2O.C17H19FN4O2S.C16H21FN2O3S/c1-28-9-8-25-13-15(10-20(25)26)21(27)24-6-4-14(5-7-24)18-12-23-19-11-16(22)2-3-17(18)19;19-14-3-4-15-16(11-20-17(15)10-14)13-5-7-21(8-6-13)18(22)9-12-1-2-12;1-21-11-14(9-20-21)25(23,24)22-6-4-12(5-7-22)16-10-19-17-8-13(18)2-3-15(16)17;1-22-8-9-23(20,21)19-6-4-12(5-7-19)15-11-18-16-10-13(17)2-3-14(15)16/h2-3,11-12,14-15,23H,4-10,13H2,1H3;3-4,10-13,20H,1-2,5-9H2;2-3,8-12,19H,4-7H2,1H3;2-3,10-12,18H,4-9H2,1H3
InChIKeyLBJXNVBZDASRLK-UHFFFAOYSA-N
MW1390.68 g/mol
LogP11.39
Rot. Bonds16

About 2-cyclopropyl-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one;6-fluoro-3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole

2-cyclopropyl-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one;6-fluoro-3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole (PubChem CID 159301517) has the molecular formula C72H87F4N11O9S2 and a molecular weight of 1390.68 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one;6-fluoro-3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one;6-fluoro-3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole
PubChem CID159301517
Molecular FormulaC72H87F4N11O9S2
Molecular Weight1390.68 g/mol
Exact Mass1389.61
IUPAC Name2-cyclopropyl-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one;6-fluoro-3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole
SMILESCOCCN1CC(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)CC1=O.COCCS(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.Cn1cc(S(=O)(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cn1.O=C(CC1CC1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C21H26FN3O3.C18H21FN2O.C17H19FN4O2S.C16H21FN2O3S/c1-28-9-8-25-13-15(10-20(25)26)21(27)24-6-4-14(5-7-24)18-12-23-19-11-16(22)2-3-17(18)19;19-14-3-4-15-16(11-20-17(15)10-14)13-5-7-21(8-6-13)18(22)9-12-1-2-12;1-21-11-14(9-20-21)25(23,24)22-6-4-12(5-7-22)16-10-19-17-8-13(18)2-3-15(16)17;1-22-8-9-23(20,21)19-6-4-12(5-7-19)15-11-18-16-10-13(17)2-3-14(15)16/h2-3,11-12,14-15,23H,4-10,13H2,1H3;3-4,10-13,20H,1-2,5-9H2;2-3,8-12,19H,4-7H2,1H3;2-3,10-12,18H,4-9H2,1H3
InChIKeyLBJXNVBZDASRLK-UHFFFAOYSA-N
XLogP11.39
TPSA235.13 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001390.68
LogP ≤ 511.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 2-cyclopropyl-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one;6-fluoro-3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one;6-fluoro-3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole?
The IUPAC name of 2-cyclopropyl-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one;6-fluoro-3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole (CID 159301517) is 2-cyclopropyl-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one;6-fluoro-3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole.
What is the SMILES notation for 2-cyclopropyl-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one;6-fluoro-3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole?
The canonical SMILES for 2-cyclopropyl-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one;6-fluoro-3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole is COCCN1CC(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)CC1=O.COCCS(=O)(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.Cn1cc(S(=O)(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cn1.O=C(CC1CC1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 2-cyclopropyl-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one;6-fluoro-3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole?
The InChIKey is LBJXNVBZDASRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3.C18H21FN2O.C17H19FN4O2S.C16H21FN2O3S/c1-28-9-8-25-13-15(10-20(25)26)21(27)24-6-4-14(5-7-24)18-12-23-19-11-16(22)2-3-17(18)19;19-14-3-4-15-16(11-20-17(15)10-14)13-5-7-21(8-6-13)18(22)9-12-1-2-12;1-21-11-14(9-20-21)25(23,24)22-6-4-12(5-7-22)16-10-19-17-8-13(18)2-3-15(16)17;1-22-8-9-23(20,21)19-6-4-12(5-7-19)15-11-18-16-10-13(17)2-3-14(15)16/h2-3,11-12,14-15,23H,4-10,13H2,1H3;3-4,10-13,20H,1-2,5-9H2;2-3,8-12,19H,4-7H2,1H3;2-3,10-12,18H,4-9H2,1H3.
What are the key properties of 2-cyclopropyl-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one;6-fluoro-3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole?
2-cyclopropyl-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one;6-fluoro-3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole has a molecular weight of 1390.68 g/mol, XLogP of 11.39, 16 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one;6-fluoro-3-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole is sourced from PubChem (CID 159301517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).