ethyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate

C15H23N3O4 — CID 17484702

IUPACethyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C15H23N3O4/c1-4-22-14(20)11-5-7-18(8-6-11)10-12-9-13(19)17(3)15(21)16(12)2/h9,11H,4-8,10H2,1-3H3
InChIKeyDDBBCVTVNGSWJK-UHFFFAOYSA-N
MW309.37 g/mol
LogP-0.14
Rot. Bonds4

About ethyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate

ethyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate (PubChem CID 17484702) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate
PubChem CID17484702
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Nameethyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C15H23N3O4/c1-4-22-14(20)11-5-7-18(8-6-11)10-12-9-13(19)17(3)15(21)16(12)2/h9,11H,4-8,10H2,1-3H3
InChIKeyDDBBCVTVNGSWJK-UHFFFAOYSA-N
XLogP-0.14
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate (CID 17484702) is ethyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1.
What is the InChIKey of ethyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate?
The InChIKey is DDBBCVTVNGSWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-4-22-14(20)11-5-7-18(8-6-11)10-12-9-13(19)17(3)15(21)16(12)2/h9,11H,4-8,10H2,1-3H3.
What are the key properties of ethyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate has a molecular weight of 309.37 g/mol, XLogP of -0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 17484702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).