N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide

C27H40N4O5 — CID 72758726

About N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide

N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide (PubChem CID 72758726) has the molecular formula C27H40N4O5 and a molecular weight of 500.64 g/mol. Its IUPAC name is N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide
• PubChem CID: 72758726
• Molecular Formula: C27H40N4O5
• Molecular Weight: 500.64 g/mol
• Exact Mass: 500.30
• IUPAC Name: N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide
• SMILES: CC(C)c1cccc(C2CCN(C(=O)C3NCC(CC(=O)N4CCOCC4)CC3C(=O)NO)CC2)c1
• InChI: InChI=1S/C27H40N4O5/c1-18(2)21-4-3-5-22(16-21)20-6-8-31(9-7-20)27(34)25-23(26(33)29-35)14-19(17-28-25)15-24(32)30-10-12-36-13-11-30/h3-5,16,18-20,23,25,28,35H,6-15,17H2,1-2H3,(H,29,33)
• InChIKey: QJQGITNSLIYJNL-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 111.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.64
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide?

The IUPAC name of N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide (CID 72758726) is N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide.

What is the SMILES notation for N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide?

The canonical SMILES for N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide is CC(C)c1cccc(C2CCN(C(=O)C3NCC(CC(=O)N4CCOCC4)CC3C(=O)NO)CC2)c1.

What is the InChIKey of N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide?

The InChIKey is QJQGITNSLIYJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O5/c1-18(2)21-4-3-5-22(16-21)20-6-8-31(9-7-20)27(34)25-23(26(33)29-35)14-19(17-28-25)15-24(32)30-10-12-36-13-11-30/h3-5,16,18-20,23,25,28,35H,6-15,17H2,1-2H3,(H,29,33).

What are the key properties of N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide?

N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide has a molecular weight of 500.64 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 72758726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).