ethyl 4-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate

C17H20N4O4 — CID 7254130

IUPACethyl 4-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc3ccc(C)cn3c2=O)CC1
InChIInChI=1S/C17H20N4O4/c1-3-25-17(24)20-8-6-19(7-9-20)15(22)13-10-18-14-5-4-12(2)11-21(14)16(13)23/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyQSBBECJRTFKEMM-UHFFFAOYSA-N
MW344.37 g/mol
LogP0.92
Rot. Bonds2

About ethyl 4-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate

ethyl 4-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate (PubChem CID 7254130) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is ethyl 4-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate
PubChem CID7254130
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Nameethyl 4-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc3ccc(C)cn3c2=O)CC1
InChIInChI=1S/C17H20N4O4/c1-3-25-17(24)20-8-6-19(7-9-20)15(22)13-10-18-14-5-4-12(2)11-21(14)16(13)23/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyQSBBECJRTFKEMM-UHFFFAOYSA-N
XLogP0.92
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate (CID 7254130) is ethyl 4-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cnc3ccc(C)cn3c2=O)CC1.
What is the InChIKey of ethyl 4-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate?
The InChIKey is QSBBECJRTFKEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-3-25-17(24)20-8-6-19(7-9-20)15(22)13-10-18-14-5-4-12(2)11-21(14)16(13)23/h4-5,10-11H,3,6-9H2,1-2H3.
What are the key properties of ethyl 4-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate?
ethyl 4-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 7254130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).