ethyl 1-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)piperidine-3-carboxylate

C14H22N4O4 — CID 4825889

IUPACethyl 1-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2c(N)n(CC)c(=O)[nH]c2=O)C1
InChIInChI=1S/C14H22N4O4/c1-3-18-11(15)10(12(19)16-14(18)21)17-7-5-6-9(8-17)13(20)22-4-2/h9H,3-8,15H2,1-2H3,(H,16,19,21)
InChIKeyYIDDXZZOISDEOT-UHFFFAOYSA-N
MW310.35 g/mol
LogP-0.08
Rot. Bonds4

About ethyl 1-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)piperidine-3-carboxylate

ethyl 1-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)piperidine-3-carboxylate (PubChem CID 4825889) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl 1-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)piperidine-3-carboxylate
PubChem CID4825889
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Nameethyl 1-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2c(N)n(CC)c(=O)[nH]c2=O)C1
InChIInChI=1S/C14H22N4O4/c1-3-18-11(15)10(12(19)16-14(18)21)17-7-5-6-9(8-17)13(20)22-4-2/h9H,3-8,15H2,1-2H3,(H,16,19,21)
InChIKeyYIDDXZZOISDEOT-UHFFFAOYSA-N
XLogP-0.08
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)piperidine-3-carboxylate (CID 4825889) is ethyl 1-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2c(N)n(CC)c(=O)[nH]c2=O)C1.
What is the InChIKey of ethyl 1-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)piperidine-3-carboxylate?
The InChIKey is YIDDXZZOISDEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-3-18-11(15)10(12(19)16-14(18)21)17-7-5-6-9(8-17)13(20)22-4-2/h9H,3-8,15H2,1-2H3,(H,16,19,21).
What are the key properties of ethyl 1-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)piperidine-3-carboxylate?
ethyl 1-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)piperidine-3-carboxylate has a molecular weight of 310.35 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)piperidine-3-carboxylate is sourced from PubChem (CID 4825889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).