(3R)-4-[(2-methoxypyrimidin-5-yl)methyl]-1-propyl-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one

C25H29N5O2 — CID 95812050

About (3R)-4-[(2-methoxypyrimidin-5-yl)methyl]-1-propyl-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one

(3R)-4-[(2-methoxypyrimidin-5-yl)methyl]-1-propyl-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one (PubChem CID 95812050) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is (3R)-4-[(2-methoxypyrimidin-5-yl)methyl]-1-propyl-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one.

Molecular Properties

• Compound Name: (3R)-4-[(2-methoxypyrimidin-5-yl)methyl]-1-propyl-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
• PubChem CID: 95812050
• Molecular Formula: C25H29N5O2
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.23
• IUPAC Name: (3R)-4-[(2-methoxypyrimidin-5-yl)methyl]-1-propyl-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
• SMILES: CCCN1CCN(Cc2cnc(OC)nc2)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O
• InChI: InChI=1S/C25H29N5O2/c1-3-10-29-11-12-30(18-20-15-27-25(32-2)28-16-20)23(24(29)31)14-19-6-4-7-21(13-19)22-8-5-9-26-17-22/h4-9,13,15-17,23H,3,10-12,14,18H2,1-2H3/t23-/m1/s1
• InChIKey: BZCXDYXGYKFYOI-HSZRJFAPSA-N
• XLogP: 3.21
• TPSA: 71.45 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(2-methoxypyrimidin-5-yl)methyl]-1-propyl-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one?

The IUPAC name of (3R)-4-[(2-methoxypyrimidin-5-yl)methyl]-1-propyl-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one (CID 95812050) is (3R)-4-[(2-methoxypyrimidin-5-yl)methyl]-1-propyl-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one.

What is the SMILES notation for (3R)-4-[(2-methoxypyrimidin-5-yl)methyl]-1-propyl-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one?

The canonical SMILES for (3R)-4-[(2-methoxypyrimidin-5-yl)methyl]-1-propyl-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one is CCCN1CCN(Cc2cnc(OC)nc2)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O.

What is the InChIKey of (3R)-4-[(2-methoxypyrimidin-5-yl)methyl]-1-propyl-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one?

The InChIKey is BZCXDYXGYKFYOI-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-3-10-29-11-12-30(18-20-15-27-25(32-2)28-16-20)23(24(29)31)14-19-6-4-7-21(13-19)22-8-5-9-26-17-22/h4-9,13,15-17,23H,3,10-12,14,18H2,1-2H3/t23-/m1/s1.

What are the key properties of (3R)-4-[(2-methoxypyrimidin-5-yl)methyl]-1-propyl-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one?

(3R)-4-[(2-methoxypyrimidin-5-yl)methyl]-1-propyl-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one has a molecular weight of 431.54 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-[(2-methoxypyrimidin-5-yl)methyl]-1-propyl-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 95812050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).