[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

C13H17N3O5 — CID 8646179

IUPAC[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)on1
InChIInChI=1S/C13H17N3O5/c1-8-6-10(21-15-8)13(19)20-7-11(17)16-5-3-2-4-9(16)12(14)18/h6,9H,2-5,7H2,1H3,(H2,14,18)/t9-/m1/s1
InChIKeyGNZXZOGHSPOPNX-SECBINFHSA-N
MW295.30 g/mol
LogP0.01
Rot. Bonds4

About [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (PubChem CID 8646179) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
PubChem CID8646179
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)on1
InChIInChI=1S/C13H17N3O5/c1-8-6-10(21-15-8)13(19)20-7-11(17)16-5-3-2-4-9(16)12(14)18/h6,9H,2-5,7H2,1H3,(H2,14,18)/t9-/m1/s1
InChIKeyGNZXZOGHSPOPNX-SECBINFHSA-N
XLogP0.01
TPSA115.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (CID 8646179) is [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is Cc1cc(C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)on1.
What is the InChIKey of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is GNZXZOGHSPOPNX-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-8-6-10(21-15-8)13(19)20-7-11(17)16-5-3-2-4-9(16)12(14)18/h6,9H,2-5,7H2,1H3,(H2,14,18)/t9-/m1/s1.
What are the key properties of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate has a molecular weight of 295.30 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 8646179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).