4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[6-[(4-methylpiperidin-1-yl)methoxy]hexyl]cyclohexane-1-carboxamide

C25H41N3O4 — CID 145077061

About 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[6-[(4-methylpiperidin-1-yl)methoxy]hexyl]cyclohexane-1-carboxamide

4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[6-[(4-methylpiperidin-1-yl)methoxy]hexyl]cyclohexane-1-carboxamide (PubChem CID 145077061) has the molecular formula C25H41N3O4 and a molecular weight of 447.62 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[6-[(4-methylpiperidin-1-yl)methoxy]hexyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[6-[(4-methylpiperidin-1-yl)methoxy]hexyl]cyclohexane-1-carboxamide
• PubChem CID: 145077061
• Molecular Formula: C25H41N3O4
• Molecular Weight: 447.62 g/mol
• Exact Mass: 447.31
• IUPAC Name: 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[6-[(4-methylpiperidin-1-yl)methoxy]hexyl]cyclohexane-1-carboxamide
• SMILES: CC1CCN(COCCCCCCNC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)CC1
• InChI: InChI=1S/C25H41N3O4/c1-20-12-15-27(16-13-20)19-32-17-5-3-2-4-14-26-25(31)22-8-6-21(7-9-22)18-28-23(29)10-11-24(28)30/h10-11,20-22H,2-9,12-19H2,1H3,(H,26,31)
• InChIKey: WDHQVJYODJFTKI-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.62
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[6-[(4-methylpiperidin-1-yl)methoxy]hexyl]cyclohexane-1-carboxamide?

The IUPAC name of 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[6-[(4-methylpiperidin-1-yl)methoxy]hexyl]cyclohexane-1-carboxamide (CID 145077061) is 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[6-[(4-methylpiperidin-1-yl)methoxy]hexyl]cyclohexane-1-carboxamide.

What is the SMILES notation for 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[6-[(4-methylpiperidin-1-yl)methoxy]hexyl]cyclohexane-1-carboxamide?

The canonical SMILES for 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[6-[(4-methylpiperidin-1-yl)methoxy]hexyl]cyclohexane-1-carboxamide is CC1CCN(COCCCCCCNC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)CC1.

What is the InChIKey of 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[6-[(4-methylpiperidin-1-yl)methoxy]hexyl]cyclohexane-1-carboxamide?

The InChIKey is WDHQVJYODJFTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O4/c1-20-12-15-27(16-13-20)19-32-17-5-3-2-4-14-26-25(31)22-8-6-21(7-9-22)18-28-23(29)10-11-24(28)30/h10-11,20-22H,2-9,12-19H2,1H3,(H,26,31).

What are the key properties of 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[6-[(4-methylpiperidin-1-yl)methoxy]hexyl]cyclohexane-1-carboxamide?

4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[6-[(4-methylpiperidin-1-yl)methoxy]hexyl]cyclohexane-1-carboxamide has a molecular weight of 447.62 g/mol, XLogP of 3.10, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[6-[(4-methylpiperidin-1-yl)methoxy]hexyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 145077061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).