2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoic acid

C16H28N4O4 — CID 67653741

IUPAC2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C2CN(C)C(=O)O2)CC1C1CCNCC1
InChIInChI=1S/C16H28N4O4/c1-11(15(21)22)20-8-7-19(14-10-18(2)16(23)24-14)9-13(20)12-3-5-17-6-4-12/h11-14,17H,3-10H2,1-2H3,(H,21,22)
InChIKeyYFJOVCCIQWYNNH-UHFFFAOYSA-N
MW340.42 g/mol
LogP-0.15
Rot. Bonds4

About 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoic acid

2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoic acid (PubChem CID 67653741) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoic acid
PubChem CID67653741
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Name2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C2CN(C)C(=O)O2)CC1C1CCNCC1
InChIInChI=1S/C16H28N4O4/c1-11(15(21)22)20-8-7-19(14-10-18(2)16(23)24-14)9-13(20)12-3-5-17-6-4-12/h11-14,17H,3-10H2,1-2H3,(H,21,22)
InChIKeyYFJOVCCIQWYNNH-UHFFFAOYSA-N
XLogP-0.15
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoic acid (CID 67653741) is 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C2CN(C)C(=O)O2)CC1C1CCNCC1.
What is the InChIKey of 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoic acid?
The InChIKey is YFJOVCCIQWYNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-11(15(21)22)20-8-7-19(14-10-18(2)16(23)24-14)9-13(20)12-3-5-17-6-4-12/h11-14,17H,3-10H2,1-2H3,(H,21,22).
What are the key properties of 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoic acid?
2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoic acid has a molecular weight of 340.42 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]propanoic acid is sourced from PubChem (CID 67653741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).