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

C19H34N4O4 — CID 19071226

IUPAC3-[4-[[2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(CC2CN(CCCC3CCNCC3)C(=O)O2)CC1
InChIInChI=1S/C19H34N4O4/c24-18(25)5-9-21-10-12-22(13-11-21)14-17-15-23(19(26)27-17)8-1-2-16-3-6-20-7-4-16/h16-17,20H,1-15H2,(H,24,25)
InChIKeyDGNQJHQHPYVTNA-UHFFFAOYSA-N
MW382.51 g/mol
LogP0.68
Rot. Bonds9

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

3-[4-[[2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid (PubChem CID 19071226) has the molecular formula C19H34N4O4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-[4-[[2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid
PubChem CID19071226
Molecular FormulaC19H34N4O4
Molecular Weight382.51 g/mol
Exact Mass382.26
IUPAC Name3-[4-[[2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(CC2CN(CCCC3CCNCC3)C(=O)O2)CC1
InChIInChI=1S/C19H34N4O4/c24-18(25)5-9-21-10-12-22(13-11-21)14-17-15-23(19(26)27-17)8-1-2-16-3-6-20-7-4-16/h16-17,20H,1-15H2,(H,24,25)
InChIKeyDGNQJHQHPYVTNA-UHFFFAOYSA-N
XLogP0.68
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[[2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid (CID 19071226) is 3-[4-[[2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[[2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[[2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(CC2CN(CCCC3CCNCC3)C(=O)O2)CC1.
What is the InChIKey of 3-[4-[[2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid?
The InChIKey is DGNQJHQHPYVTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O4/c24-18(25)5-9-21-10-12-22(13-11-21)14-17-15-23(19(26)27-17)8-1-2-16-3-6-20-7-4-16/h16-17,20H,1-15H2,(H,24,25).
What are the key properties of 3-[4-[[2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid?
3-[4-[[2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid has a molecular weight of 382.51 g/mol, XLogP of 0.68, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-oxo-3-(3-piperidin-4-ylpropyl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 19071226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).