N-(4-hydroxybutyl)-2-oxo-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide

C31H43N3O3 — CID 67261269

About N-(4-hydroxybutyl)-2-oxo-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide

N-(4-hydroxybutyl)-2-oxo-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide (PubChem CID 67261269) has the molecular formula C31H43N3O3 and a molecular weight of 505.70 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-2-oxo-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide.

Molecular Properties

• Compound Name: N-(4-hydroxybutyl)-2-oxo-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide
• PubChem CID: 67261269
• Molecular Formula: C31H43N3O3
• Molecular Weight: 505.70 g/mol
• Exact Mass: 505.33
• IUPAC Name: N-(4-hydroxybutyl)-2-oxo-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide
• SMILES: CC(=O)C(=O)N(CCCCO)C1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1
• InChI: InChI=1S/C31H43N3O3/c1-22(36)29(37)34(17-6-7-20-35)24-13-18-33(19-14-24)28-10-8-9-27(32-28)23-11-12-25-26(21-23)31(4,5)16-15-30(25,2)3/h8-12,21,24,35H,6-7,13-20H2,1-5H3
• InChIKey: ALVOWZQJNORULE-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 73.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.70
LogP ≤ 5	5.26
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': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-2-oxo-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide?

The IUPAC name of N-(4-hydroxybutyl)-2-oxo-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide (CID 67261269) is N-(4-hydroxybutyl)-2-oxo-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide.

What is the SMILES notation for N-(4-hydroxybutyl)-2-oxo-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide?

The canonical SMILES for N-(4-hydroxybutyl)-2-oxo-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide is CC(=O)C(=O)N(CCCCO)C1CCN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1.

What is the InChIKey of N-(4-hydroxybutyl)-2-oxo-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide?

The InChIKey is ALVOWZQJNORULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N3O3/c1-22(36)29(37)34(17-6-7-20-35)24-13-18-33(19-14-24)28-10-8-9-27(32-28)23-11-12-25-26(21-23)31(4,5)16-15-30(25,2)3/h8-12,21,24,35H,6-7,13-20H2,1-5H3.

What are the key properties of N-(4-hydroxybutyl)-2-oxo-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide?

N-(4-hydroxybutyl)-2-oxo-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide has a molecular weight of 505.70 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-hydroxybutyl)-2-oxo-N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 67261269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).