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

C69H88F6N10O9S3 — CID 159860804

IUPAC1-[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
SMILESCC(=O)N1CCC(c2cc(C3CCCC3)cc3[nH]ccc23)CC1.CC1(C)CN(c2cc(OC(F)(F)F)cc3[nH]ccc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCC(c2cc(C3CCCC3)cc3[nH]ccc23)CC1.CS(=O)(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ccc23)CC1
InChIInChI=1S/C20H26N2O.C19H26N2O2S.C16H20F3N3O3S.C14H16F3N3O3S/c1-14(23)22-10-7-16(8-11-22)19-12-17(15-4-2-3-5-15)13-20-18(19)6-9-21-20;1-24(22,23)21-10-7-15(8-11-21)18-12-16(14-4-2-3-5-14)13-19-17(18)6-9-20-19;1-15(2)10-21(6-7-22(15)26(3,23)24)14-9-11(25-16(17,18)19)8-13-12(14)4-5-20-13;1-24(21,22)20-6-4-19(5-7-20)13-9-10(23-14(15,16)17)8-12-11(13)2-3-18-12/h6,9,12-13,15-16,21H,2-5,7-8,10-11H2,1H3;6,9,12-15,20H,2-5,7-8,10-11H2,1H3;4-5,8-9,20H,6-7,10H2,1-3H3;2-3,8-9,18H,4-7H2,1H3
InChIKeyNRCRTZODYASEJW-UHFFFAOYSA-N
MW1411.71 g/mol
LogP13.59
Rot. Bonds11

About 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

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 (PubChem CID 159860804) has the molecular formula C69H88F6N10O9S3 and a molecular weight of 1411.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID159860804
Molecular FormulaC69H88F6N10O9S3
Molecular Weight1411.71 g/mol
Exact Mass1410.58
IUPAC Name1-[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
SMILESCC(=O)N1CCC(c2cc(C3CCCC3)cc3[nH]ccc23)CC1.CC1(C)CN(c2cc(OC(F)(F)F)cc3[nH]ccc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCC(c2cc(C3CCCC3)cc3[nH]ccc23)CC1.CS(=O)(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ccc23)CC1
InChIInChI=1S/C20H26N2O.C19H26N2O2S.C16H20F3N3O3S.C14H16F3N3O3S/c1-14(23)22-10-7-16(8-11-22)19-12-17(15-4-2-3-5-15)13-20-18(19)6-9-21-20;1-24(22,23)21-10-7-15(8-11-21)18-12-16(14-4-2-3-5-14)13-19-17(18)6-9-20-19;1-15(2)10-21(6-7-22(15)26(3,23)24)14-9-11(25-16(17,18)19)8-13-12(14)4-5-20-13;1-24(21,22)20-6-4-19(5-7-20)13-9-10(23-14(15,16)17)8-12-11(13)2-3-18-12/h6,9,12-13,15-16,21H,2-5,7-8,10-11H2,1H3;6,9,12-15,20H,2-5,7-8,10-11H2,1H3;4-5,8-9,20H,6-7,10H2,1-3H3;2-3,8-9,18H,4-7H2,1H3
InChIKeyNRCRTZODYASEJW-UHFFFAOYSA-N
XLogP13.59
TPSA220.55 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001411.71
LogP ≤ 513.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCC(c2cc(C3CCCC3)cc3[nH]ccc23)CC1.CC1(C)CN(c2cc(OC(F)(F)F)cc3[nH]ccc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCC(c2cc(C3CCCC3)cc3[nH]ccc23)CC1.CS(=O)(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ccc23)CC1.
What is the InChIKey of 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?
The InChIKey is NRCRTZODYASEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.C19H26N2O2S.C16H20F3N3O3S.C14H16F3N3O3S/c1-14(23)22-10-7-16(8-11-22)19-12-17(15-4-2-3-5-15)13-20-18(19)6-9-21-20;1-24(22,23)21-10-7-15(8-11-21)18-12-16(14-4-2-3-5-14)13-19-17(18)6-9-20-19;1-15(2)10-21(6-7-22(15)26(3,23)24)14-9-11(25-16(17,18)19)8-13-12(14)4-5-20-13;1-24(21,22)20-6-4-19(5-7-20)13-9-10(23-14(15,16)17)8-12-11(13)2-3-18-12/h6,9,12-13,15-16,21H,2-5,7-8,10-11H2,1H3;6,9,12-15,20H,2-5,7-8,10-11H2,1H3;4-5,8-9,20H,6-7,10H2,1-3H3;2-3,8-9,18H,4-7H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1411.71 g/mol, XLogP of 13.59, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159860804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).