ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate

C14H19N3O4 — CID 43431613

IUPACethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2cccnc2=O)CC1
InChIInChI=1S/C14H19N3O4/c1-2-21-13(19)11-4-8-16(9-5-11)12(18)10-17-7-3-6-15-14(17)20/h3,6-7,11H,2,4-5,8-10H2,1H3
InChIKeyFMEKGMAMUMEXCP-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.05
Rot. Bonds4

About ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate (PubChem CID 43431613) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate
PubChem CID43431613
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Nameethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2cccnc2=O)CC1
InChIInChI=1S/C14H19N3O4/c1-2-21-13(19)11-4-8-16(9-5-11)12(18)10-17-7-3-6-15-14(17)20/h3,6-7,11H,2,4-5,8-10H2,1H3
InChIKeyFMEKGMAMUMEXCP-UHFFFAOYSA-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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Related Compounds

1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 43354154
Ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate
CID 43431547
Methyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate
CID 43431614
Methyl 4-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate
CID 54942069
4-Methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 63123079
4-Ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 63125309
Methyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate
CID 78919697
methyl (3S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate
CID 78919704
ethyl (3S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate
CID 81338384
ethyl (3R)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate
CID 81338786
2-Methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 106742009

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate (CID 43431613) is ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cn2cccnc2=O)CC1.
What is the InChIKey of ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is FMEKGMAMUMEXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-21-13(19)11-4-8-16(9-5-11)12(18)10-17-7-3-6-15-14(17)20/h3,6-7,11H,2,4-5,8-10H2,1H3.
What are the key properties of ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-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 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 43431613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).