ethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate

C16H18N4O4 — CID 16614782

IUPACethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc3ccccn3c2=O)CC1
InChIInChI=1S/C16H18N4O4/c1-2-24-16(23)19-9-7-18(8-10-19)14(21)12-11-17-13-5-3-4-6-20(13)15(12)22/h3-6,11H,2,7-10H2,1H3
InChIKeyDTOLVJIQLHLMCF-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.61
Rot. Bonds2

About ethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate

ethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate (PubChem CID 16614782) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is ethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate
PubChem CID16614782
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Nameethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc3ccccn3c2=O)CC1
InChIInChI=1S/C16H18N4O4/c1-2-24-16(23)19-9-7-18(8-10-19)14(21)12-11-17-13-5-3-4-6-20(13)15(12)22/h3-6,11H,2,7-10H2,1H3
InChIKeyDTOLVJIQLHLMCF-UHFFFAOYSA-N
XLogP0.61
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 16620986
3-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 46472728
3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 46471244
3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 47736806
ethyl 4-(2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carbonyl)piperazine-1-carboxylate
CID 2158358
3-[4-(3,4-diethoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 16622334
3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 70743583
3-(4-benzoylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 42937784
3-(3-methylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119580673
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
butyl 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 113222289
3-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 102738479

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate (CID 16614782) is ethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cnc3ccccn3c2=O)CC1.
What is the InChIKey of ethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate?
The InChIKey is DTOLVJIQLHLMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-2-24-16(23)19-9-7-18(8-10-19)14(21)12-11-17-13-5-3-4-6-20(13)15(12)22/h3-6,11H,2,7-10H2,1H3.
What are the key properties of ethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate?
ethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 16614782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).