3-chloro-N-[5-chloro-2-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide

C24H30Cl2N4O2 — CID 67341438

About 3-chloro-N-[5-chloro-2-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide

3-chloro-N-[5-chloro-2-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide (PubChem CID 67341438) has the molecular formula C24H30Cl2N4O2 and a molecular weight of 477.44 g/mol. Its IUPAC name is 3-chloro-N-[5-chloro-2-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 3-chloro-N-[5-chloro-2-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide
• PubChem CID: 67341438
• Molecular Formula: C24H30Cl2N4O2
• Molecular Weight: 477.44 g/mol
• Exact Mass: 476.17
• IUPAC Name: 3-chloro-N-[5-chloro-2-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide
• SMILES: COC1CCN(CC2CCN(c3ncc(Cl)cc3NC(=O)c3cccc(Cl)c3)CC2)CC1
• InChI: InChI=1S/C24H30Cl2N4O2/c1-32-21-7-9-29(10-8-21)16-17-5-11-30(12-6-17)23-22(14-20(26)15-27-23)28-24(31)18-3-2-4-19(25)13-18/h2-4,13-15,17,21H,5-12,16H2,1H3,(H,28,31)
• InChIKey: DZQCZIKXGAWGRL-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.44
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-chloro-2-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide?

The IUPAC name of 3-chloro-N-[5-chloro-2-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide (CID 67341438) is 3-chloro-N-[5-chloro-2-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide.

What is the SMILES notation for 3-chloro-N-[5-chloro-2-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide?

The canonical SMILES for 3-chloro-N-[5-chloro-2-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide is COC1CCN(CC2CCN(c3ncc(Cl)cc3NC(=O)c3cccc(Cl)c3)CC2)CC1.

What is the InChIKey of 3-chloro-N-[5-chloro-2-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide?

The InChIKey is DZQCZIKXGAWGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N4O2/c1-32-21-7-9-29(10-8-21)16-17-5-11-30(12-6-17)23-22(14-20(26)15-27-23)28-24(31)18-3-2-4-19(25)13-18/h2-4,13-15,17,21H,5-12,16H2,1H3,(H,28,31).

What are the key properties of 3-chloro-N-[5-chloro-2-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide?

3-chloro-N-[5-chloro-2-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 477.44 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[5-chloro-2-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 67341438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).