(3R)-1-[(3-chlorophenyl)methyl]-N-methyl-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide

C25H27ClN4O — CID 92609569

About (3R)-1-[(3-chlorophenyl)methyl]-N-methyl-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide

(3R)-1-[(3-chlorophenyl)methyl]-N-methyl-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92609569) has the molecular formula C25H27ClN4O and a molecular weight of 434.97 g/mol. Its IUPAC name is (3R)-1-[(3-chlorophenyl)methyl]-N-methyl-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[(3-chlorophenyl)methyl]-N-methyl-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 92609569
• Molecular Formula: C25H27ClN4O
• Molecular Weight: 434.97 g/mol
• Exact Mass: 434.19
• IUPAC Name: (3R)-1-[(3-chlorophenyl)methyl]-N-methyl-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2cccc(Cl)c2)C1
• InChI: InChI=1S/C25H27ClN4O/c1-27-24(31)25(10-5-11-30(17-25)16-19-6-4-8-22(26)12-19)13-20-7-2-3-9-23(20)21-14-28-18-29-15-21/h2-4,6-9,12,14-15,18H,5,10-11,13,16-17H2,1H3,(H,27,31)/t25-/m1/s1
• InChIKey: OLQFSRRIDRNDHJ-RUZDIDTESA-N
• XLogP: 4.37
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.97
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-chlorophenyl)methyl]-N-methyl-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-1-[(3-chlorophenyl)methyl]-N-methyl-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide (CID 92609569) is (3R)-1-[(3-chlorophenyl)methyl]-N-methyl-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-1-[(3-chlorophenyl)methyl]-N-methyl-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-1-[(3-chlorophenyl)methyl]-N-methyl-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide is CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2cccc(Cl)c2)C1.

What is the InChIKey of (3R)-1-[(3-chlorophenyl)methyl]-N-methyl-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide?

The InChIKey is OLQFSRRIDRNDHJ-RUZDIDTESA-N. The full InChI is InChI=1S/C25H27ClN4O/c1-27-24(31)25(10-5-11-30(17-25)16-19-6-4-8-22(26)12-19)13-20-7-2-3-9-23(20)21-14-28-18-29-15-21/h2-4,6-9,12,14-15,18H,5,10-11,13,16-17H2,1H3,(H,27,31)/t25-/m1/s1.

What are the key properties of (3R)-1-[(3-chlorophenyl)methyl]-N-methyl-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide?

(3R)-1-[(3-chlorophenyl)methyl]-N-methyl-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 434.97 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[(3-chlorophenyl)methyl]-N-methyl-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92609569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).