[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone

C24H24ClN3O — CID 95816362

About [(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone

[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 95816362) has the molecular formula C24H24ClN3O and a molecular weight of 405.93 g/mol. Its IUPAC name is [(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

• Compound Name: [(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
• PubChem CID: 95816362
• Molecular Formula: C24H24ClN3O
• Molecular Weight: 405.93 g/mol
• Exact Mass: 405.16
• IUPAC Name: [(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
• SMILES: Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1
• InChI: InChI=1S/C24H24ClN3O/c1-17-13-18(14-20-5-2-3-7-22(20)25)15-23(27-17)21-6-4-12-28(16-21)24(29)19-8-10-26-11-9-19/h2-3,5,7-11,13,15,21H,4,6,12,14,16H2,1H3/t21-/m1/s1
• InChIKey: ZGBPBYUYWSFFGT-OAQYLSRUSA-N
• XLogP: 5.05
• TPSA: 46.09 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.93
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone?

The IUPAC name of [(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 95816362) is [(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone.

What is the SMILES notation for [(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone?

The canonical SMILES for [(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone is Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1.

What is the InChIKey of [(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone?

The InChIKey is ZGBPBYUYWSFFGT-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24ClN3O/c1-17-13-18(14-20-5-2-3-7-22(20)25)15-23(27-17)21-6-4-12-28(16-21)24(29)19-8-10-26-11-9-19/h2-3,5,7-11,13,15,21H,4,6,12,14,16H2,1H3/t21-/m1/s1.

What are the key properties of [(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone?

[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 405.93 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 95816362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).