4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide

C₁₈H₁₉ClN₄O₂ — CID 51180162

About 4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 51180162) has the molecular formula C₁₈H₁₉ClN₄O₂ and a molecular weight of 358.83 g/mol. Its IUPAC name is 4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

• Compound Name: 4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
• PubChem CID: 51180162
• Molecular Formula: C₁₈H₁₉ClN₄O₂
• Molecular Weight: 358.83 g/mol
• Exact Mass: 358.12
• IUPAC Name: 4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
• SMILES: O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)Nc2ccccc2)CC1
• InChI: InChI=1S/C18H19ClN4O2/c19-14-6-7-16(20-12-14)22-17(24)13-8-10-23(11-9-13)18(25)21-15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,21,25)(H,20,22,24)
• InChIKey: VLBHPOQOJCZZSQ-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.83
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide?

The IUPAC name of 4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide (CID 51180162) is 4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide.

What is the SMILES notation for 4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide?

The canonical SMILES for 4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide is O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)Nc2ccccc2)CC1.

What is the InChIKey of 4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide?

The InChIKey is VLBHPOQOJCZZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c19-14-6-7-16(20-12-14)22-17(24)13-8-10-23(11-9-13)18(25)21-15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,21,25)(H,20,22,24).

What are the key properties of 4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide?

4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 358.83 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 51180162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 51180162 — identifiers, structure, computed properties (public domain)

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