1-[3-(7-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-(2-phenylethyl)piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine

C111H139F5N16O — CID 160770902

IUPAC1-[3-(7-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-(2-phenylethyl)piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine
SMILESC1=C(c2cccc(N3CCC(NCCc4ccccc4)CC3)c2)Cc2ccccc21.CC(C)N1CCN(C2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(OC(F)(F)F)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cccc(F)c5[nH]4)c3)CC2)CC1
InChIInChI=1S/C29H38F3N5O.C28H38FN5.C28H30N2.C26H33FN4/c1-21(2)36-16-14-35(15-17-36)13-10-33-24-8-11-37(12-9-24)25-5-3-4-22(18-25)28-20-23-19-26(38-29(30,31)32)6-7-27(23)34-28;1-21(2)33-17-15-32(16-18-33)14-11-30-24-9-12-34(13-10-24)25-7-3-5-22(19-25)27-20-23-6-4-8-26(29)28(23)31-27;1-2-7-22(8-3-1)13-16-29-27-14-17-30(18-15-27)28-12-6-11-25(21-28)26-19-23-9-4-5-10-24(23)20-26;1-19(2)29-12-14-31(15-13-29)23-8-10-30(11-9-23)24-5-3-4-20(17-24)26-18-21-16-22(27)6-7-25(21)28-26/h3-7,18-21,24,33-34H,8-17H2,1-2H3;3-8,19-21,24,30-31H,9-18H2,1-2H3;1-12,19,21,27,29H,13-18,20H2;3-7,16-19,23,28H,8-15H2,1-2H3
InChIKeyRZHMNCVMBSEGOZ-UHFFFAOYSA-N
MW1808.43 g/mol
LogP20.43
Rot. Bonds25

About 1-[3-(7-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-(2-phenylethyl)piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine

1-[3-(7-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-(2-phenylethyl)piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine (PubChem CID 160770902) has the molecular formula C111H139F5N16O and a molecular weight of 1808.43 g/mol. Its IUPAC name is 1-[3-(7-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-(2-phenylethyl)piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(7-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-(2-phenylethyl)piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine
PubChem CID160770902
Molecular FormulaC111H139F5N16O
Molecular Weight1808.43 g/mol
Exact Mass1807.12
IUPAC Name1-[3-(7-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-(2-phenylethyl)piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine
SMILESC1=C(c2cccc(N3CCC(NCCc4ccccc4)CC3)c2)Cc2ccccc21.CC(C)N1CCN(C2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(OC(F)(F)F)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cccc(F)c5[nH]4)c3)CC2)CC1
InChIInChI=1S/C29H38F3N5O.C28H38FN5.C28H30N2.C26H33FN4/c1-21(2)36-16-14-35(15-17-36)13-10-33-24-8-11-37(12-9-24)25-5-3-4-22(18-25)28-20-23-19-26(38-29(30,31)32)6-7-27(23)34-28;1-21(2)33-17-15-32(16-18-33)14-11-30-24-9-12-34(13-10-24)25-7-3-5-22(19-25)27-20-23-6-4-8-26(29)28(23)31-27;1-2-7-22(8-3-1)13-16-29-27-14-17-30(18-15-27)28-12-6-11-25(21-28)26-19-23-9-4-5-10-24(23)20-26;1-19(2)29-12-14-31(15-13-29)23-8-10-30(11-9-23)24-5-3-4-20(17-24)26-18-21-16-22(27)6-7-25(21)28-26/h3-7,18-21,24,33-34H,8-17H2,1-2H3;3-8,19-21,24,30-31H,9-18H2,1-2H3;1-12,19,21,27,29H,13-18,20H2;3-7,16-19,23,28H,8-15H2,1-2H3
InChIKeyRZHMNCVMBSEGOZ-UHFFFAOYSA-N
XLogP20.43
TPSA125.09 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001808.43
LogP ≤ 520.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 1-[3-(7-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-(2-phenylethyl)piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine 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-(7-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-(2-phenylethyl)piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine?
The IUPAC name of 1-[3-(7-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-(2-phenylethyl)piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine (CID 160770902) is 1-[3-(7-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-(2-phenylethyl)piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(7-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-(2-phenylethyl)piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(7-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-(2-phenylethyl)piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine is C1=C(c2cccc(N3CCC(NCCc4ccccc4)CC3)c2)Cc2ccccc21.CC(C)N1CCN(C2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(OC(F)(F)F)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cccc(F)c5[nH]4)c3)CC2)CC1.
What is the InChIKey of 1-[3-(7-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-(2-phenylethyl)piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine?
The InChIKey is RZHMNCVMBSEGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38F3N5O.C28H38FN5.C28H30N2.C26H33FN4/c1-21(2)36-16-14-35(15-17-36)13-10-33-24-8-11-37(12-9-24)25-5-3-4-22(18-25)28-20-23-19-26(38-29(30,31)32)6-7-27(23)34-28;1-21(2)33-17-15-32(16-18-33)14-11-30-24-9-12-34(13-10-24)25-7-3-5-22(19-25)27-20-23-6-4-8-26(29)28(23)31-27;1-2-7-22(8-3-1)13-16-29-27-14-17-30(18-15-27)28-12-6-11-25(21-28)26-19-23-9-4-5-10-24(23)20-26;1-19(2)29-12-14-31(15-13-29)23-8-10-30(11-9-23)24-5-3-4-20(17-24)26-18-21-16-22(27)6-7-25(21)28-26/h3-7,18-21,24,33-34H,8-17H2,1-2H3;3-8,19-21,24,30-31H,9-18H2,1-2H3;1-12,19,21,27,29H,13-18,20H2;3-7,16-19,23,28H,8-15H2,1-2H3.
What are the key properties of 1-[3-(7-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-(2-phenylethyl)piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine?
1-[3-(7-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-(2-phenylethyl)piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine has a molecular weight of 1808.43 g/mol, XLogP of 20.43, 25 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole;1-[3-(1H-inden-2-yl)phenyl]-N-(2-phenylethyl)piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-indol-2-yl]phenyl]piperidin-4-amine is sourced from PubChem (CID 160770902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).