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

C20H34N4O6 — CID 19071140

IUPAC2-[4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(N2CC(CN3CCN(CC(=O)O)CC3)OC2=O)CC1
InChIInChI=1S/C20H34N4O6/c1-20(2,3)30-18(27)23-6-4-15(5-7-23)24-13-16(29-19(24)28)12-21-8-10-22(11-9-21)14-17(25)26/h15-16H,4-14H2,1-3H3,(H,25,26)
InChIKeySKAYJCWYHVTBHF-UHFFFAOYSA-N
MW426.51 g/mol
LogP0.91
Rot. Bonds5

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

2-[4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid (PubChem CID 19071140) has the molecular formula C20H34N4O6 and a molecular weight of 426.51 g/mol. Its IUPAC name is 2-[4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid
PubChem CID19071140
Molecular FormulaC20H34N4O6
Molecular Weight426.51 g/mol
Exact Mass426.25
IUPAC Name2-[4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(N2CC(CN3CCN(CC(=O)O)CC3)OC2=O)CC1
InChIInChI=1S/C20H34N4O6/c1-20(2,3)30-18(27)23-6-4-15(5-7-23)24-13-16(29-19(24)28)12-21-8-10-22(11-9-21)14-17(25)26/h15-16H,4-14H2,1-3H3,(H,25,26)
InChIKeySKAYJCWYHVTBHF-UHFFFAOYSA-N
XLogP0.91
TPSA102.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid (CID 19071140) is 2-[4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid is CC(C)(C)OC(=O)N1CCC(N2CC(CN3CCN(CC(=O)O)CC3)OC2=O)CC1.
What is the InChIKey of 2-[4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid?
The InChIKey is SKAYJCWYHVTBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O6/c1-20(2,3)30-18(27)23-6-4-15(5-7-23)24-13-16(29-19(24)28)12-21-8-10-22(11-9-21)14-17(25)26/h15-16H,4-14H2,1-3H3,(H,25,26).
What are the key properties of 2-[4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid?
2-[4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid has a molecular weight of 426.51 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 19071140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).