1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C87H96FN11O8S — CID 157374121

IUPAC1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1.CC(=O)N1CC=C(c2c[nH]c3ccc(OCc4ccccc4)cc23)CC1.CC(=O)N1CC=C(c2c[nH]c3cccnc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3c2CCCC3)CC1
InChIInChI=1S/2C22H22N2O2.C15H17FN2O.C14H15N3O.C14H20N2O2S/c1-16(25)24-11-9-18(10-12-24)21-14-23-22-8-7-19(13-20(21)22)26-15-17-5-3-2-4-6-17;1-16(25)24-11-9-18(10-12-24)21-14-23-22-13-19(7-8-20(21)22)26-15-17-5-3-2-4-6-17;1-10(19)18-6-4-11(5-7-18)14-9-17-15-3-2-12(16)8-13(14)15;1-10(18)17-7-4-11(5-8-17)12-9-16-13-3-2-6-15-14(12)13;1-19(17,18)16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2*2-9,13-14,23H,10-12,15H2,1H3;2-3,8-9,11,17H,4-7H2,1H3;2-4,6,9,16H,5,7-8H2,1H3;6,10,15H,2-5,7-9H2,1H3
InChIKeyBKCRKFTUYXMYTK-UHFFFAOYSA-N
MW1474.86 g/mol
LogP15.94
Rot. Bonds12

About 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 157374121) has the molecular formula C87H96FN11O8S and a molecular weight of 1474.86 g/mol. Its IUPAC name is 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID157374121
Molecular FormulaC87H96FN11O8S
Molecular Weight1474.86 g/mol
Exact Mass1473.71
IUPAC Name1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1.CC(=O)N1CC=C(c2c[nH]c3ccc(OCc4ccccc4)cc23)CC1.CC(=O)N1CC=C(c2c[nH]c3cccnc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3c2CCCC3)CC1
InChIInChI=1S/2C22H22N2O2.C15H17FN2O.C14H15N3O.C14H20N2O2S/c1-16(25)24-11-9-18(10-12-24)21-14-23-22-8-7-19(13-20(21)22)26-15-17-5-3-2-4-6-17;1-16(25)24-11-9-18(10-12-24)21-14-23-22-13-19(7-8-20(21)22)26-15-17-5-3-2-4-6-17;1-10(19)18-6-4-11(5-7-18)14-9-17-15-3-2-12(16)8-13(14)15;1-10(18)17-7-4-11(5-8-17)12-9-16-13-3-2-6-15-14(12)13;1-19(17,18)16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2*2-9,13-14,23H,10-12,15H2,1H3;2-3,8-9,11,17H,4-7H2,1H3;2-4,6,9,16H,5,7-8H2,1H3;6,10,15H,2-5,7-9H2,1H3
InChIKeyBKCRKFTUYXMYTK-UHFFFAOYSA-N
XLogP15.94
TPSA228.92 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001474.86
LogP ≤ 515.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;methane;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide
CID 159018113
9-benzyl-1-methyl-2-(2-phenylethyl)-7-phenylmethoxypyrido[3,4-b]indol-2-ium;7-(2-methoxyethoxy)-1-methyl-9H-pyrido[3,4-b]indole;1-methyl-7-phenylmethoxy-9H-pyrido[3,4-b]indole;1-methyl-7-(pyridin-3-ylmethoxy)-9H-pyrido[3,4-b]indole;1-methyl-7-(pyridin-4-ylmethoxy)-9H-pyrido[3,4-b]indole;1-methyl-7-(4,4,4-trifluorobutoxy)-9H-pyrido[3,4-b]indole;bromide
CID 159492571
1-[4-(6-cyclopentyl-1H-indol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indole;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indole
CID 159860804
3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-(6-phenylmethoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 159971534
3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide
CID 160908582
3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 161119578
5-fluoro-3-propan-2-yl-1H-indole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 161704408
3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 162208960
4-[4-(1H-indol-3-yl)piperidin-1-yl]sulfonylmorpholine;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-(6-phenylmethoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 162228341
bis(N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine);tetrakis(N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide);N-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)acetamide;bis(5-phenylmethoxy-1H-indole);N-(5-phenylmethoxy-1H-indol-3-yl)acetamide;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;bis(2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine);N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;(5-phenylmethoxy-1H-indol-3-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
CID 167551673
bis(N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine);tris(N-[2-(5-hydroxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide);N-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)acetamide;bis(5-phenylmethoxy-1H-indole);N-(5-phenylmethoxy-1H-indol-3-yl)acetamide;2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile;bis(2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine);N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide;(5-phenylmethoxy-1H-indol-3-yl)methanamine;2,2,2-trifluoroacetic acid
CID 167564498
1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 157409537

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 157374121) is 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1.CC(=O)N1CC=C(c2c[nH]c3ccc(OCc4ccccc4)cc23)CC1.CC(=O)N1CC=C(c2c[nH]c3cccnc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3c2CCCC3)CC1.
What is the InChIKey of 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is BKCRKFTUYXMYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H22N2O2.C15H17FN2O.C14H15N3O.C14H20N2O2S/c1-16(25)24-11-9-18(10-12-24)21-14-23-22-8-7-19(13-20(21)22)26-15-17-5-3-2-4-6-17;1-16(25)24-11-9-18(10-12-24)21-14-23-22-13-19(7-8-20(21)22)26-15-17-5-3-2-4-6-17;1-10(19)18-6-4-11(5-7-18)14-9-17-15-3-2-12(16)8-13(14)15;1-10(18)17-7-4-11(5-8-17)12-9-16-13-3-2-6-15-14(12)13;1-19(17,18)16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2*2-9,13-14,23H,10-12,15H2,1H3;2-3,8-9,11,17H,4-7H2,1H3;2-4,6,9,16H,5,7-8H2,1H3;6,10,15H,2-5,7-9H2,1H3.
What are the key properties of 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 1474.86 g/mol, XLogP of 15.94, 12 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 157374121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).