(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

C27H30FN3O2 — CID 92609565

About (3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92609565) has the molecular formula C27H30FN3O2 and a molecular weight of 447.55 g/mol. Its IUPAC name is (3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 92609565
• Molecular Formula: C27H30FN3O2
• Molecular Weight: 447.55 g/mol
• Exact Mass: 447.23
• IUPAC Name: (3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2ccc(OC)cc2F)C1
• InChI: InChI=1S/C27H30FN3O2/c1-29-26(32)27(16-20-7-3-4-9-24(20)21-8-5-13-30-17-21)12-6-14-31(19-27)18-22-10-11-23(33-2)15-25(22)28/h3-5,7-11,13,15,17H,6,12,14,16,18-19H2,1-2H3,(H,29,32)/t27-/m1/s1
• InChIKey: BLNLJHKVBBGNEM-HHHXNRCGSA-N
• XLogP: 4.47
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.55
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (CID 92609565) is (3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2ccc(OC)cc2F)C1.

What is the InChIKey of (3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?

The InChIKey is BLNLJHKVBBGNEM-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H30FN3O2/c1-29-26(32)27(16-20-7-3-4-9-24(20)21-8-5-13-30-17-21)12-6-14-31(19-27)18-22-10-11-23(33-2)15-25(22)28/h3-5,7-11,13,15,17H,6,12,14,16,18-19H2,1-2H3,(H,29,32)/t27-/m1/s1.

What are the key properties of (3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?

(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 447.55 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92609565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).