1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

C119H162FN19O — CID 158033273

IUPAC1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)N1CCN(C(=O)CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(F)ccc6[nH]5)c4)CC3)CCC2)CC1.CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6ccccc6[nH]5)c4)CC3)CCC2)CC1.Cc1ccc(N2CCC(NCCN3CCN(C(C)C)CC3)CC2)cc1C1=Cc2ccccc2C1
InChIInChI=1S/C31H42FN5.C30H42N4.C29H39N5O.C29H39N5/c1-23(2)35-15-17-37(18-16-35)31(11-4-12-31)22-33-27-9-13-36(14-10-27)28-6-3-5-24(20-28)30-21-25-19-26(32)7-8-29(25)34-30;1-23(2)33-18-16-32(17-19-33)15-12-31-28-10-13-34(14-11-28)29-9-8-24(3)30(22-29)27-20-25-6-4-5-7-26(25)21-27;1-22(2)32-16-18-34(19-17-32)29(35)10-13-30-25-11-14-33(15-12-25)26-8-5-7-23(20-26)28-21-24-6-3-4-9-27(24)31-28;1-32-16-18-34(19-17-32)29(12-5-13-29)22-30-25-10-14-33(15-11-25)26-8-4-7-23(20-26)28-21-24-6-2-3-9-27(24)31-28/h3,5-8,19-21,23,27,33-34H,4,9-18,22H2,1-2H3;4-9,20,22-23,28,31H,10-19,21H2,1-3H3;3-9,20-22,25,30-31H,10-19H2,1-2H3;2-4,6-9,20-21,25,30-31H,5,10-19,22H2,1H3
InChIKeyFHLBKLKURZEIDH-UHFFFAOYSA-N
MW1893.73 g/mol
LogP19.06
Rot. Bonds27

About 1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 158033273) has the molecular formula C119H162FN19O and a molecular weight of 1893.73 g/mol. Its IUPAC name is 1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID158033273
Molecular FormulaC119H162FN19O
Molecular Weight1893.73 g/mol
Exact Mass1892.32
IUPAC Name1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)N1CCN(C(=O)CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(F)ccc6[nH]5)c4)CC3)CCC2)CC1.CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6ccccc6[nH]5)c4)CC3)CCC2)CC1.Cc1ccc(N2CCC(NCCN3CCN(C(C)C)CC3)CC2)cc1C1=Cc2ccccc2C1
InChIInChI=1S/C31H42FN5.C30H42N4.C29H39N5O.C29H39N5/c1-23(2)35-15-17-37(18-16-35)31(11-4-12-31)22-33-27-9-13-36(14-10-27)28-6-3-5-24(20-28)30-21-25-19-26(32)7-8-29(25)34-30;1-23(2)33-18-16-32(17-19-33)15-12-31-28-10-13-34(14-11-28)29-9-8-24(3)30(22-29)27-20-25-6-4-5-7-26(25)21-27;1-22(2)32-16-18-34(19-17-32)29(35)10-13-30-25-11-14-33(15-12-25)26-8-5-7-23(20-26)28-21-24-6-3-4-9-27(24)31-28;1-32-16-18-34(19-17-32)29(12-5-13-29)22-30-25-10-14-33(15-11-25)26-8-4-7-23(20-26)28-21-24-6-2-3-9-27(24)31-28/h3,5-8,19-21,23,27,33-34H,4,9-18,22H2,1-2H3;4-9,20,22-23,28,31H,10-19,21H2,1-3H3;3-9,20-22,25,30-31H,10-19H2,1-2H3;2-4,6-9,20-21,25,30-31H,5,10-19,22H2,1H3
InChIKeyFHLBKLKURZEIDH-UHFFFAOYSA-N
XLogP19.06
TPSA151.44 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds27
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001893.73
LogP ≤ 519.06
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (CID 158033273) is 1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is CC(C)N1CCN(C(=O)CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(F)ccc6[nH]5)c4)CC3)CCC2)CC1.CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6ccccc6[nH]5)c4)CC3)CCC2)CC1.Cc1ccc(N2CCC(NCCN3CCN(C(C)C)CC3)CC2)cc1C1=Cc2ccccc2C1.
What is the InChIKey of 1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is FHLBKLKURZEIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42FN5.C30H42N4.C29H39N5O.C29H39N5/c1-23(2)35-15-17-37(18-16-35)31(11-4-12-31)22-33-27-9-13-36(14-10-27)28-6-3-5-24(20-28)30-21-25-19-26(32)7-8-29(25)34-30;1-23(2)33-18-16-32(17-19-33)15-12-31-28-10-13-34(14-11-28)29-9-8-24(3)30(22-29)27-20-25-6-4-5-7-26(25)21-27;1-22(2)32-16-18-34(19-17-32)29(35)10-13-30-25-11-14-33(15-12-25)26-8-5-7-23(20-26)28-21-24-6-3-4-9-27(24)31-28;1-32-16-18-34(19-17-32)29(12-5-13-29)22-30-25-10-14-33(15-11-25)26-8-4-7-23(20-26)28-21-24-6-2-3-9-27(24)31-28/h3,5-8,19-21,23,27,33-34H,4,9-18,22H2,1-2H3;4-9,20,22-23,28,31H,10-19,21H2,1-3H3;3-9,20-22,25,30-31H,10-19H2,1-2H3;2-4,6-9,20-21,25,30-31H,5,10-19,22H2,1H3.
What are the key properties of 1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 1893.73 g/mol, XLogP of 19.06, 27 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)-4-methylphenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methyl]piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 158033273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).