N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide

C23H29Cl2N3O — CID 92552003

About N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide

N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide (PubChem CID 92552003) has the molecular formula C23H29Cl2N3O and a molecular weight of 434.41 g/mol. Its IUPAC name is N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
• PubChem CID: 92552003
• Molecular Formula: C23H29Cl2N3O
• Molecular Weight: 434.41 g/mol
• Exact Mass: 433.17
• IUPAC Name: N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
• SMILES: CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
• InChI: InChI=1S/C23H29Cl2N3O/c1-23(2,3)22(29)27-21(20-6-4-5-11-26-20)17-9-12-28(13-10-17)15-16-7-8-18(24)19(25)14-16/h4-8,11,14,17,21H,9-10,12-13,15H2,1-3H3,(H,27,29)/t21-/m1/s1
• InChIKey: DVJGIYBHDICOSZ-OAQYLSRUSA-N
• XLogP: 5.50
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.41
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide (CID 92552003) is N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.

What is the InChIKey of N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?

The InChIKey is DVJGIYBHDICOSZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29Cl2N3O/c1-23(2,3)22(29)27-21(20-6-4-5-11-26-20)17-9-12-28(13-10-17)15-16-7-8-18(24)19(25)14-16/h4-8,11,14,17,21H,9-10,12-13,15H2,1-3H3,(H,27,29)/t21-/m1/s1.

What are the key properties of N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?

N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide has a molecular weight of 434.41 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 92552003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).