N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[1-(methylamino)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide

C119H124N26OS7 — CID 157105803

About N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[1-(methylamino)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide

N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[1-(methylamino)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide (PubChem CID 157105803) has the molecular formula C119H124N26OS7 and a molecular weight of 2158.95 g/mol. Its IUPAC name is N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[1-(methylamino)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide.

Molecular Properties

• Compound Name: N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[1-(methylamino)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide
• PubChem CID: 157105803
• Molecular Formula: C119H124N26OS7
• Molecular Weight: 2158.95 g/mol
• Exact Mass: 2156.85
• IUPAC Name: N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[1-(methylamino)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide
• SMILES: CNN1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CS/C(N)=N\c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1.N/C(=N\c1ccc2[nH]cc(-c3ccncc3)c2c1)c1cccs1.N/C(=N\c1ccc2[nH]cc(C3CCN(C(=O)c4ccccc4)CC3)c2c1)c1cccs1.N/C(=N\c1ccc2[nH]cc(C3CCNCC3)c2c1)c1cccs1.[H]/N=C(\c1cccs1)N1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1
• InChI: InChI=1S/C25H24N4OS.C23H23N5S2.C19H23N5S.C18H20N4S.C18H14N4S.C16H20N4S/c26-24(23-7-4-14-31-23)28-19-8-9-22-20(15-19)21(16-27-22)17-10-12-29(13-11-17)25(30)18-5-2-1-3-6-18;24-22(20-3-1-11-29-20)27-16-5-6-19-17(13-16)18(14-26-19)15-7-9-28(10-8-15)23(25)21-4-2-12-30-21;1-21-24-8-6-13(7-9-24)16-12-22-17-5-4-14(11-15(16)17)23-19(20)18-3-2-10-25-18;2*19-18(17-2-1-9-23-17)22-13-3-4-16-14(10-13)15(11-21-16)12-5-7-20-8-6-12;1-20-7-5-11(6-8-20)14-10-18-15-4-3-12(9-13(14)15)19-16(17)21-2/h1-9,14-17,27H,10-13H2,(H2,26,28);1-6,11-15,25-26H,7-10H2,(H2,24,27);2-5,10-13,21-22H,6-9H2,1H3,(H2,20,23);1-4,9-12,20-21H,5-8H2,(H2,19,22);1-11,21H,(H2,19,22);3-5,9-10,18H,6-8H2,1-2H3,(H2,17,19)/b;25-23+
• InChIKey: AGHCBQIHCGBREX-IYRGUWISSA-N
• XLogP: 25.66
• TPSA: 415.85 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2158.95
LogP ≤ 5	25.66
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[1-(methylamino)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide?

The IUPAC name of N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[1-(methylamino)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide (CID 157105803) is N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[1-(methylamino)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide.

What is the SMILES notation for N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[1-(methylamino)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide?

The canonical SMILES for N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[1-(methylamino)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide is CNN1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CS/C(N)=N\c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1.N/C(=N\c1ccc2[nH]cc(-c3ccncc3)c2c1)c1cccs1.N/C(=N\c1ccc2[nH]cc(C3CCN(C(=O)c4ccccc4)CC3)c2c1)c1cccs1.N/C(=N\c1ccc2[nH]cc(C3CCNCC3)c2c1)c1cccs1.[H]/N=C(\c1cccs1)N1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.

What is the InChIKey of N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[1-(methylamino)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide?

The InChIKey is AGHCBQIHCGBREX-IYRGUWISSA-N. The full InChI is InChI=1S/C25H24N4OS.C23H23N5S2.C19H23N5S.C18H20N4S.C18H14N4S.C16H20N4S/c26-24(23-7-4-14-31-23)28-19-8-9-22-20(15-19)21(16-27-22)17-10-12-29(13-11-17)25(30)18-5-2-1-3-6-18;24-22(20-3-1-11-29-20)27-16-5-6-19-17(13-16)18(14-26-19)15-7-9-28(10-8-15)23(25)21-4-2-12-30-21;1-21-24-8-6-13(7-9-24)16-12-22-17-5-4-14(11-15(16)17)23-19(20)18-3-2-10-25-18;2*19-18(17-2-1-9-23-17)22-13-3-4-16-14(10-13)15(11-21-16)12-5-7-20-8-6-12;1-20-7-5-11(6-8-20)14-10-18-15-4-3-12(9-13(14)15)19-16(17)21-2/h1-9,14-17,27H,10-13H2,(H2,26,28);1-6,11-15,25-26H,7-10H2,(H2,24,27);2-5,10-13,21-22H,6-9H2,1H3,(H2,20,23);1-4,9-12,20-21H,5-8H2,(H2,19,22);1-11,21H,(H2,19,22);3-5,9-10,18H,6-8H2,1-2H3,(H2,17,19)/b;25-23+;;;;.

What are the key properties of N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[1-(methylamino)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide?

N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[1-(methylamino)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide has a molecular weight of 2158.95 g/mol, XLogP of 25.66, 20 rotatable bonds, 15 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[1-(methylamino)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 157105803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).