1-[2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

C26H31ClN4O5 — CID 3672824

About 1-[2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

1-[2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 3672824) has the molecular formula C26H31ClN4O5 and a molecular weight of 515.01 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
• PubChem CID: 3672824
• Molecular Formula: C26H31ClN4O5
• Molecular Weight: 515.01 g/mol
• Exact Mass: 514.20
• IUPAC Name: 1-[2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
• SMILES: O=C(NCCN1CCOCC1)C1CCN(C(=O)C(C(=O)c2ccccc2)n2cc(Cl)ccc2=O)CC1
• InChI: InChI=1S/C26H31ClN4O5/c27-21-6-7-22(32)31(18-21)23(24(33)19-4-2-1-3-5-19)26(35)30-11-8-20(9-12-30)25(34)28-10-13-29-14-16-36-17-15-29/h1-7,18,20,23H,8-17H2,(H,28,34)
• InChIKey: ASKXMGYWGNDYKR-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 100.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.01
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?

The IUPAC name of 1-[2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (CID 3672824) is 1-[2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?

The canonical SMILES for 1-[2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is O=C(NCCN1CCOCC1)C1CCN(C(=O)C(C(=O)c2ccccc2)n2cc(Cl)ccc2=O)CC1.

What is the InChIKey of 1-[2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?

The InChIKey is ASKXMGYWGNDYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O5/c27-21-6-7-22(32)31(18-21)23(24(33)19-4-2-1-3-5-19)26(35)30-11-8-20(9-12-30)25(34)28-10-13-29-14-16-36-17-15-29/h1-7,18,20,23H,8-17H2,(H,28,34).

What are the key properties of 1-[2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?

1-[2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 515.01 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3672824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).