N-(cyclooctylmethyl)-N-[(1-methylpiperidin-3-yl)methyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide

C30H45N3O3 — CID 14747728

About N-(cyclooctylmethyl)-N-[(1-methylpiperidin-3-yl)methyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide

N-(cyclooctylmethyl)-N-[(1-methylpiperidin-3-yl)methyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide (PubChem CID 14747728) has the molecular formula C30H45N3O3 and a molecular weight of 495.71 g/mol. Its IUPAC name is N-(cyclooctylmethyl)-N-[(1-methylpiperidin-3-yl)methyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide.

Molecular Properties

• Compound Name: N-(cyclooctylmethyl)-N-[(1-methylpiperidin-3-yl)methyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide
• PubChem CID: 14747728
• Molecular Formula: C30H45N3O3
• Molecular Weight: 495.71 g/mol
• Exact Mass: 495.35
• IUPAC Name: N-(cyclooctylmethyl)-N-[(1-methylpiperidin-3-yl)methyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide
• SMILES: CN1CCCC(CN(CC2CCCCCCC2)C(=O)CCCCOc2ccc3[nH]c(=O)ccc3c2)C1
• InChI: InChI=1S/C30H45N3O3/c1-32-18-9-12-25(21-32)23-33(22-24-10-5-3-2-4-6-11-24)30(35)13-7-8-19-36-27-15-16-28-26(20-27)14-17-29(34)31-28/h14-17,20,24-25H,2-13,18-19,21-23H2,1H3,(H,31,34)
• InChIKey: IWIQLMLACJKRKT-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 65.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.71
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylmethyl)-N-[(1-methylpiperidin-3-yl)methyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide?

The IUPAC name of N-(cyclooctylmethyl)-N-[(1-methylpiperidin-3-yl)methyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide (CID 14747728) is N-(cyclooctylmethyl)-N-[(1-methylpiperidin-3-yl)methyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide.

What is the SMILES notation for N-(cyclooctylmethyl)-N-[(1-methylpiperidin-3-yl)methyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide?

The canonical SMILES for N-(cyclooctylmethyl)-N-[(1-methylpiperidin-3-yl)methyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide is CN1CCCC(CN(CC2CCCCCCC2)C(=O)CCCCOc2ccc3[nH]c(=O)ccc3c2)C1.

What is the InChIKey of N-(cyclooctylmethyl)-N-[(1-methylpiperidin-3-yl)methyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide?

The InChIKey is IWIQLMLACJKRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N3O3/c1-32-18-9-12-25(21-32)23-33(22-24-10-5-3-2-4-6-11-24)30(35)13-7-8-19-36-27-15-16-28-26(20-27)14-17-29(34)31-28/h14-17,20,24-25H,2-13,18-19,21-23H2,1H3,(H,31,34).

What are the key properties of N-(cyclooctylmethyl)-N-[(1-methylpiperidin-3-yl)methyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide?

N-(cyclooctylmethyl)-N-[(1-methylpiperidin-3-yl)methyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide has a molecular weight of 495.71 g/mol, XLogP of 5.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclooctylmethyl)-N-[(1-methylpiperidin-3-yl)methyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide is sourced from PubChem (CID 14747728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).