1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone

C92H108F5N13O9 — CID 161312294

IUPAC1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCC(C)C(=O)N1CCC(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)CC1.CCCC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.CCN1CC(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)CC1=O.O=C(CO)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.O=C(c1ccno1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C23H30FN3O2.C20H24FN3O2.C17H16FN3O2.C17H21FN2O.C15H17FN2O2/c1-15(2)22(28)26-11-7-17(8-12-26)23(29)27-9-5-16(6-10-27)20-14-25-21-13-18(24)3-4-19(20)21;1-2-23-12-14(9-19(23)25)20(26)24-7-5-13(6-8-24)17-11-22-18-10-15(21)3-4-16(17)18;18-12-1-2-13-14(10-19-15(13)9-12)11-4-7-21(8-5-11)17(22)16-3-6-20-23-16;1-2-3-17(21)20-8-6-12(7-9-20)15-11-19-16-10-13(18)4-5-14(15)16;16-11-1-2-12-13(8-17-14(12)7-11)10-3-5-18(6-4-10)15(20)9-19/h3-4,13-17,25H,5-12H2,1-2H3;3-4,10-11,13-14,22H,2,5-9,12H2,1H3;1-3,6,9-11,19H,4-5,7-8H2;4-5,10-12,19H,2-3,6-9H2,1H3;1-2,7-8,10,17,19H,3-6,9H2
InChIKeyVJAZLNXAPLGMCO-UHFFFAOYSA-N
MW1634.95 g/mol
LogP15.92
Rot. Bonds13

About 1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone

1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 161312294) has the molecular formula C92H108F5N13O9 and a molecular weight of 1634.95 g/mol. Its IUPAC name is 1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID161312294
Molecular FormulaC92H108F5N13O9
Molecular Weight1634.95 g/mol
Exact Mass1633.83
IUPAC Name1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCC(C)C(=O)N1CCC(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)CC1.CCCC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.CCN1CC(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)CC1=O.O=C(CO)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.O=C(c1ccno1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C23H30FN3O2.C20H24FN3O2.C17H16FN3O2.C17H21FN2O.C15H17FN2O2/c1-15(2)22(28)26-11-7-17(8-12-26)23(29)27-9-5-16(6-10-27)20-14-25-21-13-18(24)3-4-19(20)21;1-2-23-12-14(9-19(23)25)20(26)24-7-5-13(6-8-24)17-11-22-18-10-15(21)3-4-16(17)18;18-12-1-2-13-14(10-19-15(13)9-12)11-4-7-21(8-5-11)17(22)16-3-6-20-23-16;1-2-3-17(21)20-8-6-12(7-9-20)15-11-19-16-10-13(18)4-5-14(15)16;16-11-1-2-12-13(8-17-14(12)7-11)10-3-5-18(6-4-10)15(20)9-19/h3-4,13-17,25H,5-12H2,1-2H3;3-4,10-11,13-14,22H,2,5-9,12H2,1H3;1-3,6,9-11,19H,4-5,7-8H2;4-5,10-12,19H,2-3,6-9H2,1H3;1-2,7-8,10,17,19H,3-6,9H2
InChIKeyVJAZLNXAPLGMCO-UHFFFAOYSA-N
XLogP15.92
TPSA267.38 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001634.95
LogP ≤ 515.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

2-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2-oxoacetic acid;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-1,2-oxazole-5-carboxamide;N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]pyridine-2-carboxamide;N-[4-fluoro-3-[2-[4-[isocyano(pyridin-2-yl)methylidene]piperidin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide;methyl 4-[[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]amino]-2,3-dihydroxy-4-oxobutanoate
CID 157680216
cyclopropyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone;1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 157866067
1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 158686142
N-[3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]-1,2-oxazole-5-carboxamide;N-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]acetamide;N-[4-fluoro-3-[2-[(4E)-4-[isocyano(phenyl)methylidene]-2-methylpiperidin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide;N-[4-fluoro-3-[2-[4-[isocyano(pyridin-2-yl)methylidene]piperidin-1-yl]-2-oxoacetyl]-1H-indol-7-yl]acetamide
CID 160145656

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of 1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 161312294) is 1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for 1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for 1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone is CC(C)C(=O)N1CCC(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)CC1.CCCC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.CCN1CC(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)CC1=O.O=C(CO)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.O=C(c1ccno1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is VJAZLNXAPLGMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O2.C20H24FN3O2.C17H16FN3O2.C17H21FN2O.C15H17FN2O2/c1-15(2)22(28)26-11-7-17(8-12-26)23(29)27-9-5-16(6-10-27)20-14-25-21-13-18(24)3-4-19(20)21;1-2-23-12-14(9-19(23)25)20(26)24-7-5-13(6-8-24)17-11-22-18-10-15(21)3-4-16(17)18;18-12-1-2-13-14(10-19-15(13)9-12)11-4-7-21(8-5-11)17(22)16-3-6-20-23-16;1-2-3-17(21)20-8-6-12(7-9-20)15-11-19-16-10-13(18)4-5-14(15)16;16-11-1-2-12-13(8-17-14(12)7-11)10-3-5-18(6-4-10)15(20)9-19/h3-4,13-17,25H,5-12H2,1-2H3;3-4,10-11,13-14,22H,2,5-9,12H2,1H3;1-3,6,9-11,19H,4-5,7-8H2;4-5,10-12,19H,2-3,6-9H2,1H3;1-2,7-8,10,17,19H,3-6,9H2.
What are the key properties of 1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 1634.95 g/mol, XLogP of 15.92, 13 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 161312294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).