cyclopentyl 4-[(5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]piperidine-1-carboxylate

C20H24N4O6 — CID 24742261

IUPACcyclopentyl 4-[(5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]piperidine-1-carboxylate
SMILESCCc1cc(=O)oc2nc(ON=C3CCN(C(=O)OC4CCCC4)CC3)[nH]c(=O)c12
InChIInChI=1S/C20H24N4O6/c1-2-12-11-15(25)29-18-16(12)17(26)21-19(22-18)30-23-13-7-9-24(10-8-13)20(27)28-14-5-3-4-6-14/h11,14H,2-10H2,1H3,(H,21,22,26)
InChIKeyVWQCBQJTFSHDHM-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.35
Rot. Bonds4

About cyclopentyl 4-[(5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]piperidine-1-carboxylate

cyclopentyl 4-[(5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]piperidine-1-carboxylate (PubChem CID 24742261) has the molecular formula C20H24N4O6 and a molecular weight of 416.43 g/mol. Its IUPAC name is cyclopentyl 4-[(5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]piperidine-1-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-[(5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]piperidine-1-carboxylate
PubChem CID24742261
Molecular FormulaC20H24N4O6
Molecular Weight416.43 g/mol
Exact Mass416.17
IUPAC Namecyclopentyl 4-[(5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]piperidine-1-carboxylate
SMILESCCc1cc(=O)oc2nc(ON=C3CCN(C(=O)OC4CCCC4)CC3)[nH]c(=O)c12
InChIInChI=1S/C20H24N4O6/c1-2-12-11-15(25)29-18-16(12)17(26)21-19(22-18)30-23-13-7-9-24(10-8-13)20(27)28-14-5-3-4-6-14/h11,14H,2-10H2,1H3,(H,21,22,26)
InChIKeyVWQCBQJTFSHDHM-UHFFFAOYSA-N
XLogP2.35
TPSA127.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-[(5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]piperidine-1-carboxylate?
The IUPAC name of cyclopentyl 4-[(5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]piperidine-1-carboxylate (CID 24742261) is cyclopentyl 4-[(5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]piperidine-1-carboxylate.
What is the SMILES notation for cyclopentyl 4-[(5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]piperidine-1-carboxylate?
The canonical SMILES for cyclopentyl 4-[(5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]piperidine-1-carboxylate is CCc1cc(=O)oc2nc(ON=C3CCN(C(=O)OC4CCCC4)CC3)[nH]c(=O)c12.
What is the InChIKey of cyclopentyl 4-[(5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]piperidine-1-carboxylate?
The InChIKey is VWQCBQJTFSHDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O6/c1-2-12-11-15(25)29-18-16(12)17(26)21-19(22-18)30-23-13-7-9-24(10-8-13)20(27)28-14-5-3-4-6-14/h11,14H,2-10H2,1H3,(H,21,22,26).
What are the key properties of cyclopentyl 4-[(5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]piperidine-1-carboxylate?
cyclopentyl 4-[(5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]piperidine-1-carboxylate has a molecular weight of 416.43 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-[(5-ethyl-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]piperidine-1-carboxylate is sourced from PubChem (CID 24742261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).