(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide

C24H23FN4O3 — CID 95069932

About (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide

(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 95069932) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
• PubChem CID: 95069932
• Molecular Formula: C24H23FN4O3
• Molecular Weight: 434.47 g/mol
• Exact Mass: 434.18
• IUPAC Name: (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
• SMILES: O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1
• InChI: InChI=1S/C24H23FN4O3/c25-18-5-1-3-16(13-18)23-26-9-8-22(28-23)29-10-2-4-17(15-29)24(30)27-19-6-7-20-21(14-19)32-12-11-31-20/h1,3,5-9,13-14,17H,2,4,10-12,15H2,(H,27,30)/t17-/m1/s1
• InChIKey: FDNPNIFXNBWDBW-QGZVFWFLSA-N
• XLogP: 3.91
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.47
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide (CID 95069932) is (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1.

What is the InChIKey of (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide?

The InChIKey is FDNPNIFXNBWDBW-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H23FN4O3/c25-18-5-1-3-16(13-18)23-26-9-8-22(28-23)29-10-2-4-17(15-29)24(30)27-19-6-7-20-21(14-19)32-12-11-31-20/h1,3,5-9,13-14,17H,2,4,10-12,15H2,(H,27,30)/t17-/m1/s1.

What are the key properties of (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide?

(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95069932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).