1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetamide;2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetic acid

C62H86N12O5 — CID 158355806

About 1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetamide;2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetic acid

1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetamide;2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetic acid (PubChem CID 158355806) has the molecular formula C62H86N12O5 and a molecular weight of 1079.45 g/mol. Its IUPAC name is 1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetamide;2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetic acid.

Molecular Properties

• Compound Name: 1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetamide;2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetic acid
• PubChem CID: 158355806
• Molecular Formula: C62H86N12O5
• Molecular Weight: 1079.45 g/mol
• Exact Mass: 1078.68
• IUPAC Name: 1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetamide;2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetic acid
• SMILES: CN1CCC(N)CC1.CN1CCC(NC(=O)COCc2ccc(-c3cc(NCCCN4CCCCC4)c4cnccc4n3)cc2)CC1.O=C(O)COCc1ccc(-c2cc(NCCCN3CCCCC3)c3cnccc3n2)cc1
• InChI: InChI=1S/C31H42N6O2.C25H30N4O3.C6H14N2/c1-36-18-11-26(12-19-36)34-31(38)23-39-22-24-6-8-25(9-7-24)29-20-30(27-21-32-14-10-28(27)35-29)33-13-5-17-37-15-3-2-4-16-37;30-25(31)18-32-17-19-5-7-20(8-6-19)23-15-24(21-16-26-11-9-22(21)28-23)27-10-4-14-29-12-2-1-3-13-29;1-8-4-2-6(7)3-5-8/h6-10,14,20-21,26H,2-5,11-13,15-19,22-23H2,1H3,(H,33,35)(H,34,38);5-9,11,15-16H,1-4,10,12-14,17-18H2,(H,27,28)(H,30,31);6H,2-5,7H2,1H3
• InChIKey: GSWBUZIAWONWLL-UHFFFAOYSA-N
• XLogP: 8.54
• TPSA: 199.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1079.45
LogP ≤ 5	8.54
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)-2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetamide;2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetic acid?

The IUPAC name of 1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetamide;2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetic acid (CID 158355806) is 1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetamide;2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetic acid.

What is the SMILES notation for 1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetamide;2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetic acid?

The canonical SMILES for 1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetamide;2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetic acid is CN1CCC(N)CC1.CN1CCC(NC(=O)COCc2ccc(-c3cc(NCCCN4CCCCC4)c4cnccc4n3)cc2)CC1.O=C(O)COCc1ccc(-c2cc(NCCCN3CCCCC3)c3cnccc3n2)cc1.

What is the InChIKey of 1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetamide;2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetic acid?

The InChIKey is GSWBUZIAWONWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N6O2.C25H30N4O3.C6H14N2/c1-36-18-11-26(12-19-36)34-31(38)23-39-22-24-6-8-25(9-7-24)29-20-30(27-21-32-14-10-28(27)35-29)33-13-5-17-37-15-3-2-4-16-37;30-25(31)18-32-17-19-5-7-20(8-6-19)23-15-24(21-16-26-11-9-22(21)28-23)27-10-4-14-29-12-2-1-3-13-29;1-8-4-2-6(7)3-5-8/h6-10,14,20-21,26H,2-5,11-13,15-19,22-23H2,1H3,(H,33,35)(H,34,38);5-9,11,15-16H,1-4,10,12-14,17-18H2,(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)-2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetamide;2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetic acid?

1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetamide;2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetic acid has a molecular weight of 1079.45 g/mol, XLogP of 8.54, 21 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)-2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetamide;2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetic acid is sourced from PubChem (CID 158355806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).