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

C14H19N3O4 — CID 43431547

IUPACethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(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
InChIKeyDPBQVYPQXDKQOL-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.05
Rot. Bonds4

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

ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate (PubChem CID 43431547) 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-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate
PubChem CID43431547
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Nameethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(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
InChIKeyDPBQVYPQXDKQOL-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-3-carboxylic acid
CID 43170997
Ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate
CID 43431613
Methyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxylate
CID 43431614
3-Methyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 63133882
3-Ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 63134221
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
2-[1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 78980970
(3R)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 81119611
(3S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 81120921
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

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate (CID 43431547) is ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)Cn2cccnc2=O)C1.
What is the InChIKey of ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate?
The InChIKey is DPBQVYPQXDKQOL-UHFFFAOYSA-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.
What are the key properties of ethyl 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate?
ethyl 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 1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 43431547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).