ethyl (3R)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate

C14H19N3O4 — CID 81338786

IUPACethyl (3R)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)Cn2cccnc2=O)C1
InChIInChI=1S/C14H19N3O4/c1-2-21-13(19)11-5-3-7-16(9-11)12(18)10-17-8-4-6-15-14(17)20/h4,6,8,11H,2-3,5,7,9-10H2,1H3/t11-/m1/s1
InChIKeyDPBQVYPQXDKQOL-LLVKDONJSA-N
MW293.32 g/mol
LogP0.05
Rot. Bonds4

About ethyl (3R)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate

ethyl (3R)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate (PubChem CID 81338786) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl (3R)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate
PubChem CID81338786
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Nameethyl (3R)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)Cn2cccnc2=O)C1
InChIInChI=1S/C14H19N3O4/c1-2-21-13(19)11-5-3-7-16(9-11)12(18)10-17-8-4-6-15-14(17)20/h4,6,8,11H,2-3,5,7,9-10H2,1H3/t11-/m1/s1
InChIKeyDPBQVYPQXDKQOL-LLVKDONJSA-N
XLogP0.05
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate (CID 81338786) is ethyl (3R)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cccnc2=O)C1.
What is the InChIKey of ethyl (3R)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate?
The InChIKey is DPBQVYPQXDKQOL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-21-13(19)11-5-3-7-16(9-11)12(18)10-17-8-4-6-15-14(17)20/h4,6,8,11H,2-3,5,7,9-10H2,1H3/t11-/m1/s1.
What are the key properties of ethyl (3R)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate?
ethyl (3R)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 0.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 81338786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).