1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile

C137H180N26O2 — CID 160628590

IUPAC1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
SMILESCN1CCN(C(=O)CCNC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CN1CCN(C(=O)CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6ccccc6[nH]5)c4)CC3)CCCCC2)CC1.CN1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCCN3CCNCC3)CC2)c1
InChIInChI=1S/C31H43N5.C28H34N6O.C27H35N5O.C26H35N5.C25H33N5/c1-34-18-20-36(21-19-34)31(14-5-2-6-15-31)24-32-27-12-16-35(17-13-27)28-10-7-9-25(22-28)30-23-26-8-3-4-11-29(26)33-30;1-32-13-15-34(16-14-32)28(35)7-10-30-24-8-11-33(12-9-24)25-4-2-3-22(18-25)27-19-23-17-21(20-29)5-6-26(23)31-27;1-30-15-17-32(18-16-30)27(33)9-12-28-23-10-13-31(14-11-23)24-7-4-6-21(19-24)26-20-22-5-2-3-8-25(22)29-26;1-29-15-17-30(18-16-29)14-11-27-23-9-12-31(13-10-23)24-7-4-6-21(19-24)26-20-22-5-2-3-8-25(22)28-26;1-2-7-24-21(4-1)19-25(28-24)20-5-3-6-23(18-20)30-13-8-22(9-14-30)27-12-17-29-15-10-26-11-16-29/h3-4,7-11,22-23,27,32-33H,2,5-6,12-21,24H2,1H3;2-6,17-19,24,30-31H,7-16H2,1H3;2-8,19-20,23,28-29H,9-18H2,1H3;2-8,19-20,23,27-28H,9-18H2,1H3;1-7,18-19,22,26-28H,8-17H2
InChIKeyRHPZPUIPUKYWHW-UHFFFAOYSA-N
MW2223.13 g/mol
LogP19.27
Rot. Bonds30

About 1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile

1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile (PubChem CID 160628590) has the molecular formula C137H180N26O2 and a molecular weight of 2223.13 g/mol. Its IUPAC name is 1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
PubChem CID160628590
Molecular FormulaC137H180N26O2
Molecular Weight2223.13 g/mol
Exact Mass2221.48
IUPAC Name1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
SMILESCN1CCN(C(=O)CCNC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CN1CCN(C(=O)CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6ccccc6[nH]5)c4)CC3)CCCCC2)CC1.CN1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCCN3CCNCC3)CC2)c1
InChIInChI=1S/C31H43N5.C28H34N6O.C27H35N5O.C26H35N5.C25H33N5/c1-34-18-20-36(21-19-34)31(14-5-2-6-15-31)24-32-27-12-16-35(17-13-27)28-10-7-9-25(22-28)30-23-26-8-3-4-11-29(26)33-30;1-32-13-15-34(16-14-32)28(35)7-10-30-24-8-11-33(12-9-24)25-4-2-3-22(18-25)27-19-23-17-21(20-29)5-6-26(23)31-27;1-30-15-17-32(18-16-30)27(33)9-12-28-23-10-13-31(14-11-23)24-7-4-6-21(19-24)26-20-22-5-2-3-8-25(22)29-26;1-29-15-17-30(18-16-29)14-11-27-23-9-12-31(13-10-23)24-7-4-6-21(19-24)26-20-22-5-2-3-8-25(22)28-26;1-2-7-24-21(4-1)19-25(28-24)20-5-3-6-23(18-20)30-13-8-22(9-14-30)27-12-17-29-15-10-26-11-16-29/h3-4,7-11,22-23,27,32-33H,2,5-6,12-21,24H2,1H3;2-6,17-19,24,30-31H,7-16H2,1H3;2-8,19-20,23,28-29H,9-18H2,1H3;2-8,19-20,23,27-28H,9-18H2,1H3;1-7,18-19,22,26-28H,8-17H2
InChIKeyRHPZPUIPUKYWHW-UHFFFAOYSA-N
XLogP19.27
TPSA254.42 Ų
H-Bond Donors11
H-Bond Acceptors21
Rotatable Bonds30
Heavy Atoms165
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002223.13
LogP ≤ 519.27
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1021

Analyze 1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The IUPAC name of 1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile (CID 160628590) is 1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile is CN1CCN(C(=O)CCNC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CN1CCN(C(=O)CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6ccccc6[nH]5)c4)CC3)CCCCC2)CC1.CN1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCCN3CCNCC3)CC2)c1.
What is the InChIKey of 1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The InChIKey is RHPZPUIPUKYWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N5.C28H34N6O.C27H35N5O.C26H35N5.C25H33N5/c1-34-18-20-36(21-19-34)31(14-5-2-6-15-31)24-32-27-12-16-35(17-13-27)28-10-7-9-25(22-28)30-23-26-8-3-4-11-29(26)33-30;1-32-13-15-34(16-14-32)28(35)7-10-30-24-8-11-33(12-9-24)25-4-2-3-22(18-25)27-19-23-17-21(20-29)5-6-26(23)31-27;1-30-15-17-32(18-16-30)27(33)9-12-28-23-10-13-31(14-11-23)24-7-4-6-21(19-24)26-20-22-5-2-3-8-25(22)29-26;1-29-15-17-30(18-16-29)14-11-27-23-9-12-31(13-10-23)24-7-4-6-21(19-24)26-20-22-5-2-3-8-25(22)28-26;1-2-7-24-21(4-1)19-25(28-24)20-5-3-6-23(18-20)30-13-8-22(9-14-30)27-12-17-29-15-10-26-11-16-29/h3-4,7-11,22-23,27,32-33H,2,5-6,12-21,24H2,1H3;2-6,17-19,24,30-31H,7-16H2,1H3;2-8,19-20,23,28-29H,9-18H2,1H3;2-8,19-20,23,27-28H,9-18H2,1H3;1-7,18-19,22,26-28H,8-17H2.
What are the key properties of 1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile has a molecular weight of 2223.13 g/mol, XLogP of 19.27, 30 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 160628590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).