1-[3-(5-fluoro-1H-inden-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-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;oxo-[2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-inden-5-yl]azanium;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;hydroxide

C148H198F2N24O2 — CID 157220300

IUPAC1-[3-(5-fluoro-1H-inden-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-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;oxo-[2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-inden-5-yl]azanium;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;hydroxide
SMILESCC(C)N1CCN(CCNC2CCN(c3cccc(C4=Cc5cc(C#N)ccc5C4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(C4=Cc5cc(F)ccc5C4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(C4=Cc5cc([NH+]=O)ccc5C4)c3)CC2)CC1.CN1CCN(C2(CNC3CCN(c4cccc(C5=Cc6cc(C#N)ccc6C5)c4)CC3)CCC2)CC1.Cc1ccc(N2CCC(NCCN3CCN(C(C)C)CC3)CC2)cc1-c1cc2cc(F)ccc2[nH]1.[OH-]
InChIInChI=1S/C31H39N5.C30H39N5.C29H40FN5.C29H39FN4.C29H39N5O.H2O/c1-34-14-16-36(17-15-34)31(10-3-11-31)23-33-29-8-12-35(13-9-29)30-5-2-4-25(21-30)28-19-26-7-6-24(22-32)18-27(26)20-28;1-23(2)34-16-14-33(15-17-34)13-10-32-29-8-11-35(12-9-29)30-5-3-4-25(21-30)28-19-26-7-6-24(22-31)18-27(26)20-28;1-21(2)34-16-14-33(15-17-34)13-10-31-25-8-11-35(12-9-25)26-6-4-22(3)27(20-26)29-19-23-18-24(30)5-7-28(23)32-29;1-22(2)33-16-14-32(15-17-33)13-10-31-28-8-11-34(12-9-28)29-5-3-4-23(21-29)25-18-24-6-7-27(30)20-26(24)19-25;1-22(2)33-16-14-32(15-17-33)13-10-30-27-8-11-34(12-9-27)29-5-3-4-23(21-29)25-18-24-6-7-28(31-35)20-26(24)19-25;/h2,4-7,18,20-21,29,33H,3,8-17,19,23H2,1H3;3-7,18,20-21,23,29,32H,8-17,19H2,1-2H3;4-7,18-21,25,31-32H,8-17H2,1-3H3;3-7,19-22,28,31H,8-18H2,1-2H3;3-7,19-22,27,30H,8-18H2,1-2H3;1H2
InChIKeyWCLFTYPQQWVSGB-UHFFFAOYSA-N
MW2383.37 g/mol
LogP20.67
Rot. Bonds35

About 1-[3-(5-fluoro-1H-inden-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-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;oxo-[2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-inden-5-yl]azanium;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;hydroxide

1-[3-(5-fluoro-1H-inden-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-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;oxo-[2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-inden-5-yl]azanium;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;hydroxide (PubChem CID 157220300) has the molecular formula C148H198F2N24O2 and a molecular weight of 2383.37 g/mol. Its IUPAC name is 1-[3-(5-fluoro-1H-inden-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-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;oxo-[2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-inden-5-yl]azanium;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;hydroxide.

Molecular Properties

Compound Name1-[3-(5-fluoro-1H-inden-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-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;oxo-[2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-inden-5-yl]azanium;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;hydroxide
PubChem CID157220300
Molecular FormulaC148H198F2N24O2
Molecular Weight2383.37 g/mol
Exact Mass2381.61
IUPAC Name1-[3-(5-fluoro-1H-inden-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-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;oxo-[2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-inden-5-yl]azanium;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;hydroxide
SMILESCC(C)N1CCN(CCNC2CCN(c3cccc(C4=Cc5cc(C#N)ccc5C4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(C4=Cc5cc(F)ccc5C4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(C4=Cc5cc([NH+]=O)ccc5C4)c3)CC2)CC1.CN1CCN(C2(CNC3CCN(c4cccc(C5=Cc6cc(C#N)ccc6C5)c4)CC3)CCC2)CC1.Cc1ccc(N2CCC(NCCN3CCN(C(C)C)CC3)CC2)cc1-c1cc2cc(F)ccc2[nH]1.[OH-]
InChIInChI=1S/C31H39N5.C30H39N5.C29H40FN5.C29H39FN4.C29H39N5O.H2O/c1-34-14-16-36(17-15-34)31(10-3-11-31)23-33-29-8-12-35(13-9-29)30-5-2-4-25(21-30)28-19-26-7-6-24(22-32)18-27(26)20-28;1-23(2)34-16-14-33(15-17-34)13-10-32-29-8-11-35(12-9-29)30-5-3-4-25(21-30)28-19-26-7-6-24(22-31)18-27(26)20-28;1-21(2)34-16-14-33(15-17-34)13-10-31-25-8-11-35(12-9-25)26-6-4-22(3)27(20-26)29-19-23-18-24(30)5-7-28(23)32-29;1-22(2)33-16-14-32(15-17-33)13-10-31-28-8-11-34(12-9-28)29-5-3-4-23(21-29)25-18-24-6-7-27(30)20-26(24)19-25;1-22(2)33-16-14-32(15-17-33)13-10-30-27-8-11-34(12-9-27)29-5-3-4-23(21-29)25-18-24-6-7-28(31-35)20-26(24)19-25;/h2,4-7,18,20-21,29,33H,3,8-17,19,23H2,1H3;3-7,18,20-21,23,29,32H,8-17,19H2,1-2H3;4-7,18-21,25,31-32H,8-17H2,1-3H3;3-7,19-22,28,31H,8-18H2,1-2H3;3-7,19-22,27,30H,8-18H2,1-2H3;1H2
InChIKeyWCLFTYPQQWVSGB-UHFFFAOYSA-N
XLogP20.67
TPSA233.16 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds35
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002383.37
LogP ≤ 520.67
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 1-[3-(5-fluoro-1H-inden-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-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;oxo-[2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-inden-5-yl]azanium;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;hydroxide 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-[3-(5-fluoro-1H-inden-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-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;oxo-[2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-inden-5-yl]azanium;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;hydroxide?
The IUPAC name of 1-[3-(5-fluoro-1H-inden-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-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;oxo-[2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-inden-5-yl]azanium;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;hydroxide (CID 157220300) is 1-[3-(5-fluoro-1H-inden-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-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;oxo-[2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-inden-5-yl]azanium;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;hydroxide.
What is the SMILES notation for 1-[3-(5-fluoro-1H-inden-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-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;oxo-[2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-inden-5-yl]azanium;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;hydroxide?
The canonical SMILES for 1-[3-(5-fluoro-1H-inden-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-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;oxo-[2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-inden-5-yl]azanium;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;hydroxide is CC(C)N1CCN(CCNC2CCN(c3cccc(C4=Cc5cc(C#N)ccc5C4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(C4=Cc5cc(F)ccc5C4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(C4=Cc5cc([NH+]=O)ccc5C4)c3)CC2)CC1.CN1CCN(C2(CNC3CCN(c4cccc(C5=Cc6cc(C#N)ccc6C5)c4)CC3)CCC2)CC1.Cc1ccc(N2CCC(NCCN3CCN(C(C)C)CC3)CC2)cc1-c1cc2cc(F)ccc2[nH]1.[OH-].
What is the InChIKey of 1-[3-(5-fluoro-1H-inden-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-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;oxo-[2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-inden-5-yl]azanium;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;hydroxide?
The InChIKey is WCLFTYPQQWVSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N5.C30H39N5.C29H40FN5.C29H39FN4.C29H39N5O.H2O/c1-34-14-16-36(17-15-34)31(10-3-11-31)23-33-29-8-12-35(13-9-29)30-5-2-4-25(21-30)28-19-26-7-6-24(22-32)18-27(26)20-28;1-23(2)34-16-14-33(15-17-34)13-10-32-29-8-11-35(12-9-29)30-5-3-4-25(21-30)28-19-26-7-6-24(22-31)18-27(26)20-28;1-21(2)34-16-14-33(15-17-34)13-10-31-25-8-11-35(12-9-25)26-6-4-22(3)27(20-26)29-19-23-18-24(30)5-7-28(23)32-29;1-22(2)33-16-14-32(15-17-33)13-10-31-28-8-11-34(12-9-28)29-5-3-4-23(21-29)25-18-24-6-7-27(30)20-26(24)19-25;1-22(2)33-16-14-32(15-17-33)13-10-30-27-8-11-34(12-9-27)29-5-3-4-23(21-29)25-18-24-6-7-28(31-35)20-26(24)19-25;/h2,4-7,18,20-21,29,33H,3,8-17,19,23H2,1H3;3-7,18,20-21,23,29,32H,8-17,19H2,1-2H3;4-7,18-21,25,31-32H,8-17H2,1-3H3;3-7,19-22,28,31H,8-18H2,1-2H3;3-7,19-22,27,30H,8-18H2,1-2H3;1H2.
What are the key properties of 1-[3-(5-fluoro-1H-inden-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-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;oxo-[2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-inden-5-yl]azanium;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;hydroxide?
1-[3-(5-fluoro-1H-inden-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-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;oxo-[2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-inden-5-yl]azanium;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;hydroxide has a molecular weight of 2383.37 g/mol, XLogP of 20.67, 35 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-fluoro-1H-inden-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-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[[1-(4-methylpiperazin-1-yl)cyclobutyl]methylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;oxo-[2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-inden-5-yl]azanium;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indene-5-carbonitrile;hydroxide is sourced from PubChem (CID 157220300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).