(4R)-3-[6-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one

C19H28N4O3 — CID 124951744

IUPAC(4R)-3-[6-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1COC(=O)N1c1cncc(CC2CCN(C(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C19H28N4O3/c1-13-12-26-18(25)23(13)16-11-20-10-15(21-16)9-14-5-7-22(8-6-14)17(24)19(2,3)4/h10-11,13-14H,5-9,12H2,1-4H3/t13-/m1/s1
InChIKeyDJUQSYHIQHXRKK-CYBMUJFWSA-N
MW360.46 g/mol
LogP2.65
Rot. Bonds3

About (4R)-3-[6-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one

(4R)-3-[6-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 124951744) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is (4R)-3-[6-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[6-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID124951744
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name(4R)-3-[6-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1COC(=O)N1c1cncc(CC2CCN(C(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C19H28N4O3/c1-13-12-26-18(25)23(13)16-11-20-10-15(21-16)9-14-5-7-22(8-6-14)17(24)19(2,3)4/h10-11,13-14H,5-9,12H2,1-4H3/t13-/m1/s1
InChIKeyDJUQSYHIQHXRKK-CYBMUJFWSA-N
XLogP2.65
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[6-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[6-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one (CID 124951744) is (4R)-3-[6-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[6-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[6-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one is C[C@@H]1COC(=O)N1c1cncc(CC2CCN(C(=O)C(C)(C)C)CC2)n1.
What is the InChIKey of (4R)-3-[6-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is DJUQSYHIQHXRKK-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-13-12-26-18(25)23(13)16-11-20-10-15(21-16)9-14-5-7-22(8-6-14)17(24)19(2,3)4/h10-11,13-14H,5-9,12H2,1-4H3/t13-/m1/s1.
What are the key properties of (4R)-3-[6-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one?
(4R)-3-[6-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 360.46 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[6-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 124951744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).