ethyl 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-3-carboxylate

C15H23N3O4 — CID 90489822

IUPACethyl 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-3-carboxylate
SMILESCCCn1c(=O)cc(N2CCCC(C(=O)OCC)C2)[nH]c1=O
InChIInChI=1S/C15H23N3O4/c1-3-7-18-13(19)9-12(16-15(18)21)17-8-5-6-11(10-17)14(20)22-4-2/h9,11H,3-8,10H2,1-2H3,(H,16,21)
InChIKeyUEHVLKPBWFVGHL-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.73
Rot. Bonds5

About ethyl 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-3-carboxylate

ethyl 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-3-carboxylate (PubChem CID 90489822) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-3-carboxylate
PubChem CID90489822
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Nameethyl 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-3-carboxylate
SMILESCCCn1c(=O)cc(N2CCCC(C(=O)OCC)C2)[nH]c1=O
InChIInChI=1S/C15H23N3O4/c1-3-7-18-13(19)9-12(16-15(18)21)17-8-5-6-11(10-17)14(20)22-4-2/h9,11H,3-8,10H2,1-2H3,(H,16,21)
InChIKeyUEHVLKPBWFVGHL-UHFFFAOYSA-N
XLogP0.73
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(3-cyclohexyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylate
CID 3243367
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl 1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxylate
CID 91654996
ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 82537675
ethyl (3S)-1-(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate
CID 39297679
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
ethyl (3S)-1-hydroxypiperidine-3-carboxylate
CID 142359331
ethyl (3R)-1-(4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperidine-3-carboxylate
CID 7032855
ethyl 1-(4-acetylphenyl)piperidine-3-carboxylate
CID 43176930
ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
CID 113482815
ethyl 1-(4-aminonaphthalen-1-yl)piperidine-3-carboxylate
CID 118952705
ethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate
CID 82537653

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-3-carboxylate (CID 90489822) is ethyl 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-3-carboxylate is CCCn1c(=O)cc(N2CCCC(C(=O)OCC)C2)[nH]c1=O.
What is the InChIKey of ethyl 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-3-carboxylate?
The InChIKey is UEHVLKPBWFVGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-3-7-18-13(19)9-12(16-15(18)21)17-8-5-6-11(10-17)14(20)22-4-2/h9,11H,3-8,10H2,1-2H3,(H,16,21).
What are the key properties of ethyl 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-3-carboxylate?
ethyl 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-3-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)piperidine-3-carboxylate is sourced from PubChem (CID 90489822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).