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

C17H20N4O4 — CID 44783014

IUPACethyl 1-(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc3ncc(N)c(=O)n3c2)CC1
InChIInChI=1S/C17H20N4O4/c1-2-25-17(24)11-5-7-20(8-6-11)15(22)12-3-4-14-19-9-13(18)16(23)21(14)10-12/h3-4,9-11H,2,5-8,18H2,1H3
InChIKeyCEQBKIREZJCWFI-UHFFFAOYSA-N
MW344.37 g/mol
LogP0.69
Rot. Bonds3

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

ethyl 1-(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)piperidine-4-carboxylate (PubChem CID 44783014) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is ethyl 1-(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)piperidine-4-carboxylate
PubChem CID44783014
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Nameethyl 1-(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc3ncc(N)c(=O)n3c2)CC1
InChIInChI=1S/C17H20N4O4/c1-2-25-17(24)11-5-7-20(8-6-11)15(22)12-3-4-14-19-9-13(18)16(23)21(14)10-12/h3-4,9-11H,2,5-8,18H2,1H3
InChIKeyCEQBKIREZJCWFI-UHFFFAOYSA-N
XLogP0.69
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
ethyl 1-[3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate
CID 137291244
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
ethyl 1-[4-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43333531
ethyl 1-[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate
CID 134799912
2-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
CID 19502953
ethyl 1-(4-pentoxybenzoyl)piperidine-4-carboxylate
CID 17230839
ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
CID 134222495
ethyl 1-(3-methyl-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate
CID 110762331
ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate
CID 84573349
ethyl 1-[3-fluoro-4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91730821
ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-4-carboxylate
CID 4775673

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)piperidine-4-carboxylate (CID 44783014) is ethyl 1-(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc3ncc(N)c(=O)n3c2)CC1.
What is the InChIKey of ethyl 1-(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)piperidine-4-carboxylate?
The InChIKey is CEQBKIREZJCWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-2-25-17(24)11-5-7-20(8-6-11)15(22)12-3-4-14-19-9-13(18)16(23)21(14)10-12/h3-4,9-11H,2,5-8,18H2,1H3.
What are the key properties of ethyl 1-(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)piperidine-4-carboxylate?
ethyl 1-(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)piperidine-4-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 44783014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).