(3R,5R)-5-(4-fluoro-3-methylphenyl)-3-N-[(3-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide

C24H29F2N3O2 — CID 92996947

About (3R,5R)-5-(4-fluoro-3-methylphenyl)-3-N-[(3-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide

(3R,5R)-5-(4-fluoro-3-methylphenyl)-3-N-[(3-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide (PubChem CID 92996947) has the molecular formula C24H29F2N3O2 and a molecular weight of 429.51 g/mol. Its IUPAC name is (3R,5R)-5-(4-fluoro-3-methylphenyl)-3-N-[(3-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide.

Molecular Properties

• Compound Name: (3R,5R)-5-(4-fluoro-3-methylphenyl)-3-N-[(3-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
• PubChem CID: 92996947
• Molecular Formula: C24H29F2N3O2
• Molecular Weight: 429.51 g/mol
• Exact Mass: 429.22
• IUPAC Name: (3R,5R)-5-(4-fluoro-3-methylphenyl)-3-N-[(3-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
• SMILES: Cc1cc([C@H]2C[C@@H](C(=O)NCc3cccc(F)c3)CN(C(=O)NC(C)C)C2)ccc1F
• InChI: InChI=1S/C24H29F2N3O2/c1-15(2)28-24(31)29-13-19(18-7-8-22(26)16(3)9-18)11-20(14-29)23(30)27-12-17-5-4-6-21(25)10-17/h4-10,15,19-20H,11-14H2,1-3H3,(H,27,30)(H,28,31)/t19-,20+/m0/s1
• InChIKey: NUCQBUOBZMOAPQ-VQTJNVASSA-N
• XLogP: 4.11
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.51
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(4-fluoro-3-methylphenyl)-3-N-[(3-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?

The IUPAC name of (3R,5R)-5-(4-fluoro-3-methylphenyl)-3-N-[(3-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide (CID 92996947) is (3R,5R)-5-(4-fluoro-3-methylphenyl)-3-N-[(3-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide.

What is the SMILES notation for (3R,5R)-5-(4-fluoro-3-methylphenyl)-3-N-[(3-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?

The canonical SMILES for (3R,5R)-5-(4-fluoro-3-methylphenyl)-3-N-[(3-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide is Cc1cc([C@H]2C[C@@H](C(=O)NCc3cccc(F)c3)CN(C(=O)NC(C)C)C2)ccc1F.

What is the InChIKey of (3R,5R)-5-(4-fluoro-3-methylphenyl)-3-N-[(3-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?

The InChIKey is NUCQBUOBZMOAPQ-VQTJNVASSA-N. The full InChI is InChI=1S/C24H29F2N3O2/c1-15(2)28-24(31)29-13-19(18-7-8-22(26)16(3)9-18)11-20(14-29)23(30)27-12-17-5-4-6-21(25)10-17/h4-10,15,19-20H,11-14H2,1-3H3,(H,27,30)(H,28,31)/t19-,20+/m0/s1.

What are the key properties of (3R,5R)-5-(4-fluoro-3-methylphenyl)-3-N-[(3-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?

(3R,5R)-5-(4-fluoro-3-methylphenyl)-3-N-[(3-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide has a molecular weight of 429.51 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5R)-5-(4-fluoro-3-methylphenyl)-3-N-[(3-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 92996947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).