(4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride

C25H31ClN4O3 — CID 67380790

About (4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride

(4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 67380790) has the molecular formula C25H31ClN4O3 and a molecular weight of 471.00 g/mol. Its IUPAC name is (4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

• Compound Name: (4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
• PubChem CID: 67380790
• Molecular Formula: C25H31ClN4O3
• Molecular Weight: 471.00 g/mol
• Exact Mass: 470.21
• IUPAC Name: (4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
• SMILES: Cc1cc(C2CCC2)cnc1N1CCN(C(=O)c2ccc(N3C(=O)OC[C@H]3C)cc2)CC1.Cl
• InChI: InChI=1S/C25H30N4O3.ClH/c1-17-14-21(19-4-3-5-19)15-26-23(17)27-10-12-28(13-11-27)24(30)20-6-8-22(9-7-20)29-18(2)16-32-25(29)31;/h6-9,14-15,18-19H,3-5,10-13,16H2,1-2H3;1H/t18-;/m1./s1
• InChIKey: BYPSHMIQBODGTK-GMUIIQOCSA-N
• XLogP: 4.39
• TPSA: 65.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.00
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride?

The IUPAC name of (4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride (CID 67380790) is (4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride.

What is the SMILES notation for (4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride?

The canonical SMILES for (4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride is Cc1cc(C2CCC2)cnc1N1CCN(C(=O)c2ccc(N3C(=O)OC[C@H]3C)cc2)CC1.Cl.

What is the InChIKey of (4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride?

The InChIKey is BYPSHMIQBODGTK-GMUIIQOCSA-N. The full InChI is InChI=1S/C25H30N4O3.ClH/c1-17-14-21(19-4-3-5-19)15-26-23(17)27-10-12-28(13-11-27)24(30)20-6-8-22(9-7-20)29-18(2)16-32-25(29)31;/h6-9,14-15,18-19H,3-5,10-13,16H2,1-2H3;1H/t18-;/m1./s1.

What are the key properties of (4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride?

(4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 471.00 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 67380790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).