1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;N-[1-[3-(1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-amine

C115H156F3N19 — CID 158574072

IUPAC1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;N-[1-[3-(1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-amine
SMILESCC(C)N1CCN(CCCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(F)c(F)cc5[nH]4)c3)CC2)CC1.Cc1ccc(N2CCC(NC3CCN(C)CC3)CC2)cc1-c1cc2ccccc2[nH]1.Cc1ccc(N2CCC(NCC3(N4CCN(C(C)C)CC4)CCC3)CC2)cc1-c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C32H44FN5.C29H41N5.C28H37F2N5.C26H34N4/c1-23(2)36-15-17-38(18-16-36)32(11-4-12-32)22-34-27-9-13-37(14-10-27)28-7-5-24(3)29(21-28)31-20-25-19-26(33)6-8-30(25)35-31;1-23(2)33-19-17-32(18-20-33)14-6-13-30-26-11-15-34(16-12-26)27-9-5-8-24(21-27)29-22-25-7-3-4-10-28(25)31-29;1-20(2)34-14-12-33(13-15-34)11-8-31-23-6-9-35(10-7-23)24-5-3-4-21(16-24)27-18-22-17-25(29)26(30)19-28(22)32-27;1-19-7-8-23(18-24(19)26-17-20-5-3-4-6-25(20)28-26)30-15-11-22(12-16-30)27-21-9-13-29(2)14-10-21/h5-8,19-21,23,27,34-35H,4,9-18,22H2,1-3H3;3-5,7-10,21-23,26,30-31H,6,11-20H2,1-2H3;3-5,16-20,23,31-32H,6-15H2,1-2H3;3-8,17-18,21-22,27-28H,9-16H2,1-2H3
InChIKeyHSLCKDSMMAWBFN-UHFFFAOYSA-N
MW1861.64 g/mol
LogP20.09
Rot. Bonds26

About 1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;N-[1-[3-(1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-amine

1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;N-[1-[3-(1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-amine (PubChem CID 158574072) has the molecular formula C115H156F3N19 and a molecular weight of 1861.64 g/mol. Its IUPAC name is 1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;N-[1-[3-(1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;N-[1-[3-(1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-amine
PubChem CID158574072
Molecular FormulaC115H156F3N19
Molecular Weight1861.64 g/mol
Exact Mass1860.27
IUPAC Name1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;N-[1-[3-(1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-amine
SMILESCC(C)N1CCN(CCCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(F)c(F)cc5[nH]4)c3)CC2)CC1.Cc1ccc(N2CCC(NC3CCN(C)CC3)CC2)cc1-c1cc2ccccc2[nH]1.Cc1ccc(N2CCC(NCC3(N4CCN(C(C)C)CC4)CCC3)CC2)cc1-c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C32H44FN5.C29H41N5.C28H37F2N5.C26H34N4/c1-23(2)36-15-17-38(18-16-36)32(11-4-12-32)22-34-27-9-13-37(14-10-27)28-7-5-24(3)29(21-28)31-20-25-19-26(33)6-8-30(25)35-31;1-23(2)33-19-17-32(18-20-33)14-6-13-30-26-11-15-34(16-12-26)27-9-5-8-24(21-27)29-22-25-7-3-4-10-28(25)31-29;1-20(2)34-14-12-33(13-15-34)11-8-31-23-6-9-35(10-7-23)24-5-3-4-21(16-24)27-18-22-17-25(29)26(30)19-28(22)32-27;1-19-7-8-23(18-24(19)26-17-20-5-3-4-6-25(20)28-26)30-15-11-22(12-16-30)27-21-9-13-29(2)14-10-21/h5-8,19-21,23,27,34-35H,4,9-18,22H2,1-3H3;3-5,7-10,21-23,26,30-31H,6,11-20H2,1-2H3;3-5,16-20,23,31-32H,6-15H2,1-2H3;3-8,17-18,21-22,27-28H,9-16H2,1-2H3
InChIKeyHSLCKDSMMAWBFN-UHFFFAOYSA-N
XLogP20.09
TPSA146.92 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001861.64
LogP ≤ 520.09
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;N-[1-[3-(1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;N-[1-[3-(1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-amine?
The IUPAC name of 1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;N-[1-[3-(1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-amine (CID 158574072) is 1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;N-[1-[3-(1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;N-[1-[3-(1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;N-[1-[3-(1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-amine is CC(C)N1CCN(CCCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(F)c(F)cc5[nH]4)c3)CC2)CC1.Cc1ccc(N2CCC(NC3CCN(C)CC3)CC2)cc1-c1cc2ccccc2[nH]1.Cc1ccc(N2CCC(NCC3(N4CCN(C(C)C)CC4)CCC3)CC2)cc1-c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;N-[1-[3-(1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-amine?
The InChIKey is HSLCKDSMMAWBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44FN5.C29H41N5.C28H37F2N5.C26H34N4/c1-23(2)36-15-17-38(18-16-36)32(11-4-12-32)22-34-27-9-13-37(14-10-27)28-7-5-24(3)29(21-28)31-20-25-19-26(33)6-8-30(25)35-31;1-23(2)33-19-17-32(18-20-33)14-6-13-30-26-11-15-34(16-12-26)27-9-5-8-24(21-27)29-22-25-7-3-4-10-28(25)31-29;1-20(2)34-14-12-33(13-15-34)11-8-31-23-6-9-35(10-7-23)24-5-3-4-21(16-24)27-18-22-17-25(29)26(30)19-28(22)32-27;1-19-7-8-23(18-24(19)26-17-20-5-3-4-6-25(20)28-26)30-15-11-22(12-16-30)27-21-9-13-29(2)14-10-21/h5-8,19-21,23,27,34-35H,4,9-18,22H2,1-3H3;3-5,7-10,21-23,26,30-31H,6,11-20H2,1-2H3;3-5,16-20,23,31-32H,6-15H2,1-2H3;3-8,17-18,21-22,27-28H,9-16H2,1-2H3.
What are the key properties of 1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;N-[1-[3-(1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-amine?
1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;N-[1-[3-(1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-amine has a molecular weight of 1861.64 g/mol, XLogP of 20.09, 26 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;N-[1-[3-(1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-amine is sourced from PubChem (CID 158574072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).