(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

IUPAC(4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
SMILESCc1cc(C2CCC2)cnc1N1CCN(C(=O)c2ccc(N3C(=O)OC[C@H]3C)cc2)CC1.Cl
InChIInChI=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
InChIKeyBYPSHMIQBODGTK-GMUIIQOCSA-N
MW471.00 g/mol
LogP4.39
Rot. Bonds4

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 CID67380790
Molecular FormulaC25H31ClN4O3
Molecular Weight471.00 g/mol
Exact Mass470.21
IUPAC Name(4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
SMILESCc1cc(C2CCC2)cnc1N1CCN(C(=O)c2ccc(N3C(=O)OC[C@H]3C)cc2)CC1.Cl
InChIInChI=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
InChIKeyBYPSHMIQBODGTK-GMUIIQOCSA-N
XLogP4.39
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.00
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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).