N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide

C26H33N5O3 — CID 55922165

About N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide

N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide (PubChem CID 55922165) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide
• PubChem CID: 55922165
• Molecular Formula: C26H33N5O3
• Molecular Weight: 463.58 g/mol
• Exact Mass: 463.26
• IUPAC Name: N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide
• SMILES: Cc1ccnc(NC(=O)C2CCN(CC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)CC2)c1
• InChI: InChI=1S/C26H33N5O3/c1-19-7-12-27-23(17-19)29-26(34)20-8-13-30(14-9-20)18-24(32)31-15-10-21(11-16-31)25(33)28-22-5-3-2-4-6-22/h2-7,12,17,20-21H,8-11,13-16,18H2,1H3,(H,28,33)(H,27,29,34)
• InChIKey: PVEWKQBDFVGDIE-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 94.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.58
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide?

The IUPAC name of N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide (CID 55922165) is N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide.

What is the SMILES notation for N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide?

The canonical SMILES for N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(CC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)CC2)c1.

What is the InChIKey of N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide?

The InChIKey is PVEWKQBDFVGDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-19-7-12-27-23(17-19)29-26(34)20-8-13-30(14-9-20)18-24(32)31-15-10-21(11-16-31)25(33)28-22-5-3-2-4-6-22/h2-7,12,17,20-21H,8-11,13-16,18H2,1H3,(H,28,33)(H,27,29,34).

What are the key properties of N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide?

N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55922165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).