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

C15H26N4O4 — CID 22377794

IUPAC2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CC2CN(C3CCNCC3)C(=O)O2)CC1
InChIInChI=1S/C15H26N4O4/c20-14(21)11-18-7-5-17(6-8-18)9-13-10-19(15(22)23-13)12-1-3-16-4-2-12/h12-13,16H,1-11H2,(H,20,21)
InChIKeySEJKHSHKVCMXOR-UHFFFAOYSA-N
MW326.40 g/mol
LogP-0.74
Rot. Bonds5

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

2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetic acid (PubChem CID 22377794) has the molecular formula C15H26N4O4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetic acid
PubChem CID22377794
Molecular FormulaC15H26N4O4
Molecular Weight326.40 g/mol
Exact Mass326.20
IUPAC Name2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CC2CN(C3CCNCC3)C(=O)O2)CC1
InChIInChI=1S/C15H26N4O4/c20-14(21)11-18-7-5-17(6-8-18)9-13-10-19(15(22)23-13)12-1-3-16-4-2-12/h12-13,16H,1-11H2,(H,20,21)
InChIKeySEJKHSHKVCMXOR-UHFFFAOYSA-N
XLogP-0.74
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetic acid (CID 22377794) is 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(CC2CN(C3CCNCC3)C(=O)O2)CC1.
What is the InChIKey of 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetic acid?
The InChIKey is SEJKHSHKVCMXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4/c20-14(21)11-18-7-5-17(6-8-18)9-13-10-19(15(22)23-13)12-1-3-16-4-2-12/h12-13,16H,1-11H2,(H,20,21).
What are the key properties of 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetic acid?
2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetic acid has a molecular weight of 326.40 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 22377794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).