N-[[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;3-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-1,1-dimethylurea;N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;methyl N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]carbamate;N-[(1-piperidin-4-ylindol-6-yl)methyl]acetamide;N-[[1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]indol-6-yl]methyl]acetamide

C139H168F3N21O8 — CID 158818509

IUPACN-[[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;3-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-1,1-dimethylurea;N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;methyl N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]carbamate;N-[(1-piperidin-4-ylindol-6-yl)methyl]acetamide;N-[[1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]indol-6-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc2c(C#N)cn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.CC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(C(C)O)cc4)CC3)c2c1.CC(=O)NCc1ccc2ccn(C3CCN(CCc4cccnc4)CC3)c2c1.CC(=O)NCc1ccc2ccn(C3CCNCC3)c2c1.CN(C)C(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.COC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C26H33N3O2.C25H31FN4O.C25H27FN4O.C24H28FN3O2.C23H28N4O.C16H21N3O/c1-19(30)23-6-3-21(4-7-23)9-13-28-14-11-25(12-15-28)29-16-10-24-8-5-22(17-26(24)29)18-27-20(2)31;1-28(2)25(31)27-18-20-3-6-21-10-16-30(24(21)17-20)23-11-14-29(15-12-23)13-9-19-4-7-22(26)8-5-19;1-18(31)28-16-20-4-7-24-21(15-27)17-30(25(24)14-20)23-9-12-29(13-10-23)11-8-19-2-5-22(26)6-3-19;1-30-24(29)26-17-19-2-5-20-9-15-28(23(20)16-19)22-10-13-27(14-11-22)12-8-18-3-6-21(25)7-4-18;1-18(28)25-17-20-4-5-21-7-14-27(23(21)15-20)22-8-12-26(13-9-22)11-6-19-3-2-10-24-16-19;1-12(20)18-11-13-2-3-14-6-9-19(16(14)10-13)15-4-7-17-8-5-15/h3-8,10,16-17,19,25,30H,9,11-15,18H2,1-2H3,(H,27,31);3-8,10,16-17,23H,9,11-15,18H2,1-2H3,(H,27,31);2-7,14,17,23H,8-13,16H2,1H3,(H,28,31);2-7,9,15-16,22H,8,10-14,17H2,1H3,(H,26,29);2-5,7,10,14-16,22H,6,8-9,11-13,17H2,1H3,(H,25,28);2-3,6,9-10,15,17H,4-5,7-8,11H2,1H3,(H,18,20)
InChIKeyIVONPCVJWGFELU-UHFFFAOYSA-N
MW2318.01 g/mol
LogP23.08
Rot. Bonds34

About N-[[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;3-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-1,1-dimethylurea;N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;methyl N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]carbamate;N-[(1-piperidin-4-ylindol-6-yl)methyl]acetamide;N-[[1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]indol-6-yl]methyl]acetamide

N-[[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;3-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-1,1-dimethylurea;N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;methyl N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]carbamate;N-[(1-piperidin-4-ylindol-6-yl)methyl]acetamide;N-[[1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]indol-6-yl]methyl]acetamide (PubChem CID 158818509) has the molecular formula C139H168F3N21O8 and a molecular weight of 2318.01 g/mol. Its IUPAC name is N-[[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;3-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-1,1-dimethylurea;N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;methyl N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]carbamate;N-[(1-piperidin-4-ylindol-6-yl)methyl]acetamide;N-[[1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]indol-6-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;3-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-1,1-dimethylurea;N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;methyl N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]carbamate;N-[(1-piperidin-4-ylindol-6-yl)methyl]acetamide;N-[[1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]indol-6-yl]methyl]acetamide
PubChem CID158818509
Molecular FormulaC139H168F3N21O8
Molecular Weight2318.01 g/mol
Exact Mass2316.33
IUPAC NameN-[[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;3-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-1,1-dimethylurea;N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;methyl N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]carbamate;N-[(1-piperidin-4-ylindol-6-yl)methyl]acetamide;N-[[1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]indol-6-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc2c(C#N)cn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.CC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(C(C)O)cc4)CC3)c2c1.CC(=O)NCc1ccc2ccn(C3CCN(CCc4cccnc4)CC3)c2c1.CC(=O)NCc1ccc2ccn(C3CCNCC3)c2c1.CN(C)C(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.COC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C26H33N3O2.C25H31FN4O.C25H27FN4O.C24H28FN3O2.C23H28N4O.C16H21N3O/c1-19(30)23-6-3-21(4-7-23)9-13-28-14-11-25(12-15-28)29-16-10-24-8-5-22(17-26(24)29)18-27-20(2)31;1-28(2)25(31)27-18-20-3-6-21-10-16-30(24(21)17-20)23-11-14-29(15-12-23)13-9-19-4-7-22(26)8-5-19;1-18(31)28-16-20-4-7-24-21(15-27)17-30(25(24)14-20)23-9-12-29(13-10-23)11-8-19-2-5-22(26)6-3-19;1-30-24(29)26-17-19-2-5-20-9-15-28(23(20)16-19)22-10-13-27(14-11-22)12-8-18-3-6-21(25)7-4-18;1-18(28)25-17-20-4-5-21-7-14-27(23(21)15-20)22-8-12-26(13-9-22)11-6-19-3-2-10-24-16-19;1-12(20)18-11-13-2-3-14-6-9-19(16(14)10-13)15-4-7-17-8-5-15/h3-8,10,16-17,19,25,30H,9,11-15,18H2,1-2H3,(H,27,31);3-8,10,16-17,23H,9,11-15,18H2,1-2H3,(H,27,31);2-7,14,17,23H,8-13,16H2,1H3,(H,28,31);2-7,9,15-16,22H,8,10-14,17H2,1H3,(H,26,29);2-5,7,10,14-16,22H,6,8-9,11-13,17H2,1H3,(H,25,28);2-3,6,9-10,15,17H,4-5,7-8,11H2,1H3,(H,18,20)
InChIKeyIVONPCVJWGFELU-UHFFFAOYSA-N
XLogP23.08
TPSA301.79 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds34
Heavy Atoms171
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002318.01
LogP ≤ 523.08
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze N-[[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;3-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-1,1-dimethylurea;N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;methyl N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]carbamate;N-[(1-piperidin-4-ylindol-6-yl)methyl]acetamide;N-[[1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]indol-6-yl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;3-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-1,1-dimethylurea;N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;methyl N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]carbamate;N-[(1-piperidin-4-ylindol-6-yl)methyl]acetamide;N-[[1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]indol-6-yl]methyl]acetamide?
The IUPAC name of N-[[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;3-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-1,1-dimethylurea;N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;methyl N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]carbamate;N-[(1-piperidin-4-ylindol-6-yl)methyl]acetamide;N-[[1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]indol-6-yl]methyl]acetamide (CID 158818509) is N-[[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;3-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-1,1-dimethylurea;N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;methyl N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]carbamate;N-[(1-piperidin-4-ylindol-6-yl)methyl]acetamide;N-[[1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]indol-6-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;3-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-1,1-dimethylurea;N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;methyl N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]carbamate;N-[(1-piperidin-4-ylindol-6-yl)methyl]acetamide;N-[[1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]indol-6-yl]methyl]acetamide?
The canonical SMILES for N-[[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;3-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-1,1-dimethylurea;N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;methyl N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]carbamate;N-[(1-piperidin-4-ylindol-6-yl)methyl]acetamide;N-[[1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]indol-6-yl]methyl]acetamide is CC(=O)NCc1ccc2c(C#N)cn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.CC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(C(C)O)cc4)CC3)c2c1.CC(=O)NCc1ccc2ccn(C3CCN(CCc4cccnc4)CC3)c2c1.CC(=O)NCc1ccc2ccn(C3CCNCC3)c2c1.CN(C)C(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.COC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.
What is the InChIKey of N-[[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;3-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-1,1-dimethylurea;N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;methyl N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]carbamate;N-[(1-piperidin-4-ylindol-6-yl)methyl]acetamide;N-[[1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]indol-6-yl]methyl]acetamide?
The InChIKey is IVONPCVJWGFELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2.C25H31FN4O.C25H27FN4O.C24H28FN3O2.C23H28N4O.C16H21N3O/c1-19(30)23-6-3-21(4-7-23)9-13-28-14-11-25(12-15-28)29-16-10-24-8-5-22(17-26(24)29)18-27-20(2)31;1-28(2)25(31)27-18-20-3-6-21-10-16-30(24(21)17-20)23-11-14-29(15-12-23)13-9-19-4-7-22(26)8-5-19;1-18(31)28-16-20-4-7-24-21(15-27)17-30(25(24)14-20)23-9-12-29(13-10-23)11-8-19-2-5-22(26)6-3-19;1-30-24(29)26-17-19-2-5-20-9-15-28(23(20)16-19)22-10-13-27(14-11-22)12-8-18-3-6-21(25)7-4-18;1-18(28)25-17-20-4-5-21-7-14-27(23(21)15-20)22-8-12-26(13-9-22)11-6-19-3-2-10-24-16-19;1-12(20)18-11-13-2-3-14-6-9-19(16(14)10-13)15-4-7-17-8-5-15/h3-8,10,16-17,19,25,30H,9,11-15,18H2,1-2H3,(H,27,31);3-8,10,16-17,23H,9,11-15,18H2,1-2H3,(H,27,31);2-7,14,17,23H,8-13,16H2,1H3,(H,28,31);2-7,9,15-16,22H,8,10-14,17H2,1H3,(H,26,29);2-5,7,10,14-16,22H,6,8-9,11-13,17H2,1H3,(H,25,28);2-3,6,9-10,15,17H,4-5,7-8,11H2,1H3,(H,18,20).
What are the key properties of N-[[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;3-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-1,1-dimethylurea;N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;methyl N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]carbamate;N-[(1-piperidin-4-ylindol-6-yl)methyl]acetamide;N-[[1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]indol-6-yl]methyl]acetamide?
N-[[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;3-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-1,1-dimethylurea;N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;methyl N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]carbamate;N-[(1-piperidin-4-ylindol-6-yl)methyl]acetamide;N-[[1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]indol-6-yl]methyl]acetamide has a molecular weight of 2318.01 g/mol, XLogP of 23.08, 34 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;3-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-1,1-dimethylurea;N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;methyl N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]carbamate;N-[(1-piperidin-4-ylindol-6-yl)methyl]acetamide;N-[[1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]indol-6-yl]methyl]acetamide is sourced from PubChem (CID 158818509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).