1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide;6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxylic acid

C62H78N12O3S2 — CID 158363547

About 1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide;6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxylic acid

1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide;6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxylic acid (PubChem CID 158363547) has the molecular formula C62H78N12O3S2 and a molecular weight of 1103.52 g/mol. Its IUPAC name is 1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide;6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxylic acid.

Molecular Properties

• Compound Name: 1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide;6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxylic acid
• PubChem CID: 158363547
• Molecular Formula: C62H78N12O3S2
• Molecular Weight: 1103.52 g/mol
• Exact Mass: 1102.58
• IUPAC Name: 1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide;6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxylic acid
• SMILES: CN1CCC(N)CC1.CN1CCC(NC(=O)c2cc3ccc(-c4cc(NCCCN5CCCCC5)c5cnccc5n4)cc3s2)CC1.O=C(O)c1cc2ccc(-c3cc(NCCCN4CCCCC4)c4cnccc4n3)cc2s1
• InChI: InChI=1S/C31H38N6OS.C25H26N4O2S.C6H14N2/c1-36-16-9-24(10-17-36)34-31(38)30-19-23-7-6-22(18-29(23)39-30)27-20-28(25-21-32-12-8-26(25)35-27)33-11-5-15-37-13-3-2-4-14-37;30-25(31)24-14-18-6-5-17(13-23(18)32-24)21-15-22(19-16-26-9-7-20(19)28-21)27-8-4-12-29-10-2-1-3-11-29;1-8-4-2-6(7)3-5-8/h6-8,12,18-21,24H,2-5,9-11,13-17H2,1H3,(H,33,35)(H,34,38);5-7,9,13-16H,1-4,8,10-12H2,(H,27,28)(H,30,31);6H,2-5,7H2,1H3
• InChIKey: GTTHZBWOWIVWHD-UHFFFAOYSA-N
• XLogP: 11.16
• TPSA: 181.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1103.52
LogP ≤ 5	11.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide;6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxylic acid?

The IUPAC name of 1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide;6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxylic acid (CID 158363547) is 1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide;6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxylic acid.

What is the SMILES notation for 1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide;6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxylic acid?

The canonical SMILES for 1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide;6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxylic acid is CN1CCC(N)CC1.CN1CCC(NC(=O)c2cc3ccc(-c4cc(NCCCN5CCCCC5)c5cnccc5n4)cc3s2)CC1.O=C(O)c1cc2ccc(-c3cc(NCCCN4CCCCC4)c4cnccc4n3)cc2s1.

What is the InChIKey of 1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide;6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxylic acid?

The InChIKey is GTTHZBWOWIVWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6OS.C25H26N4O2S.C6H14N2/c1-36-16-9-24(10-17-36)34-31(38)30-19-23-7-6-22(18-29(23)39-30)27-20-28(25-21-32-12-8-26(25)35-27)33-11-5-15-37-13-3-2-4-14-37;30-25(31)24-14-18-6-5-17(13-23(18)32-24)21-15-22(19-16-26-9-7-20(19)28-21)27-8-4-12-29-10-2-1-3-11-29;1-8-4-2-6(7)3-5-8/h6-8,12,18-21,24H,2-5,9-11,13-17H2,1H3,(H,33,35)(H,34,38);5-7,9,13-16H,1-4,8,10-12H2,(H,27,28)(H,30,31);6H,2-5,7H2,1H3.

What are the key properties of 1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide;6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxylic acid?

1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide;6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxylic acid has a molecular weight of 1103.52 g/mol, XLogP of 11.16, 15 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide;6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 158363547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).