[1-[[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] hydrogen carbonate

C20H28N4O5 — CID 67622512

IUPAC[1-[[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] hydrogen carbonate
SMILESO=C(O)OC1CCN(CC2CN(C3CCN(c4ccncc4)CC3)C(=O)O2)CC1
InChIInChI=1S/C20H28N4O5/c25-19-24(16-3-11-23(12-4-16)15-1-7-21-8-2-15)14-18(28-19)13-22-9-5-17(6-10-22)29-20(26)27/h1-2,7-8,16-18H,3-6,9-14H2,(H,26,27)
InChIKeyALRPXAGCMBHKKM-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.03
Rot. Bonds5

About [1-[[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] hydrogen carbonate

[1-[[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] hydrogen carbonate (PubChem CID 67622512) has the molecular formula C20H28N4O5 and a molecular weight of 404.47 g/mol. Its IUPAC name is [1-[[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] hydrogen carbonate.

Molecular Properties

Compound Name[1-[[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] hydrogen carbonate
PubChem CID67622512
Molecular FormulaC20H28N4O5
Molecular Weight404.47 g/mol
Exact Mass404.21
IUPAC Name[1-[[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] hydrogen carbonate
SMILESO=C(O)OC1CCN(CC2CN(C3CCN(c4ccncc4)CC3)C(=O)O2)CC1
InChIInChI=1S/C20H28N4O5/c25-19-24(16-3-11-23(12-4-16)15-1-7-21-8-2-15)14-18(28-19)13-22-9-5-17(6-10-22)29-20(26)27/h1-2,7-8,16-18H,3-6,9-14H2,(H,26,27)
InChIKeyALRPXAGCMBHKKM-UHFFFAOYSA-N
XLogP2.03
TPSA95.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] hydrogen carbonate 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 [1-[[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] hydrogen carbonate?
The IUPAC name of [1-[[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] hydrogen carbonate (CID 67622512) is [1-[[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] hydrogen carbonate.
What is the SMILES notation for [1-[[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] hydrogen carbonate?
The canonical SMILES for [1-[[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] hydrogen carbonate is O=C(O)OC1CCN(CC2CN(C3CCN(c4ccncc4)CC3)C(=O)O2)CC1.
What is the InChIKey of [1-[[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] hydrogen carbonate?
The InChIKey is ALRPXAGCMBHKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5/c25-19-24(16-3-11-23(12-4-16)15-1-7-21-8-2-15)14-18(28-19)13-22-9-5-17(6-10-22)29-20(26)27/h1-2,7-8,16-18H,3-6,9-14H2,(H,26,27).
What are the key properties of [1-[[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] hydrogen carbonate?
[1-[[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] hydrogen carbonate has a molecular weight of 404.47 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] hydrogen carbonate is sourced from PubChem (CID 67622512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).