1-N-(3-methylphenyl)-3-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-1,3-dicarboxamide

C28H32N4O3 — CID 55835959

About 1-N-(3-methylphenyl)-3-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-1,3-dicarboxamide

1-N-(3-methylphenyl)-3-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-1,3-dicarboxamide (PubChem CID 55835959) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 1-N-(3-methylphenyl)-3-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-(3-methylphenyl)-3-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-1,3-dicarboxamide
• PubChem CID: 55835959
• Molecular Formula: C28H32N4O3
• Molecular Weight: 472.59 g/mol
• Exact Mass: 472.25
• IUPAC Name: 1-N-(3-methylphenyl)-3-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-1,3-dicarboxamide
• SMILES: Cc1cccc(NC(=O)N2CCCC(C(=O)NC(C)c3ccc(OCc4cccnc4)cc3)C2)c1
• InChI: InChI=1S/C28H32N4O3/c1-20-6-3-9-25(16-20)31-28(34)32-15-5-8-24(18-32)27(33)30-21(2)23-10-12-26(13-11-23)35-19-22-7-4-14-29-17-22/h3-4,6-7,9-14,16-17,21,24H,5,8,15,18-19H2,1-2H3,(H,30,33)(H,31,34)
• InChIKey: HESDWGLRHANXTQ-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.59
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylphenyl)-3-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-1,3-dicarboxamide?

The IUPAC name of 1-N-(3-methylphenyl)-3-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-1,3-dicarboxamide (CID 55835959) is 1-N-(3-methylphenyl)-3-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-1,3-dicarboxamide.

What is the SMILES notation for 1-N-(3-methylphenyl)-3-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-1,3-dicarboxamide?

The canonical SMILES for 1-N-(3-methylphenyl)-3-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-1,3-dicarboxamide is Cc1cccc(NC(=O)N2CCCC(C(=O)NC(C)c3ccc(OCc4cccnc4)cc3)C2)c1.

What is the InChIKey of 1-N-(3-methylphenyl)-3-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-1,3-dicarboxamide?

The InChIKey is HESDWGLRHANXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-20-6-3-9-25(16-20)31-28(34)32-15-5-8-24(18-32)27(33)30-21(2)23-10-12-26(13-11-23)35-19-22-7-4-14-29-17-22/h3-4,6-7,9-14,16-17,21,24H,5,8,15,18-19H2,1-2H3,(H,30,33)(H,31,34).

What are the key properties of 1-N-(3-methylphenyl)-3-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-1,3-dicarboxamide?

1-N-(3-methylphenyl)-3-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-1,3-dicarboxamide has a molecular weight of 472.59 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-(3-methylphenyl)-3-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 55835959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).