methyl 1-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate

C18H21N3O5 — CID 5310573

IUPACmethyl 1-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2cc(=O)n(-c3ccc(OC)cc3)c(=O)[nH]2)CC1
InChIInChI=1S/C18H21N3O5/c1-25-14-5-3-13(4-6-14)21-16(22)11-15(19-18(21)24)20-9-7-12(8-10-20)17(23)26-2/h3-6,11-12H,7-10H2,1-2H3,(H,19,24)
InChIKeyVIHNFNIMKISFRQ-UHFFFAOYSA-N
MW359.38 g/mol
LogP0.92
Rot. Bonds4

About methyl 1-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate

methyl 1-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate (PubChem CID 5310573) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is methyl 1-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate
PubChem CID5310573
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Namemethyl 1-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2cc(=O)n(-c3ccc(OC)cc3)c(=O)[nH]2)CC1
InChIInChI=1S/C18H21N3O5/c1-25-14-5-3-13(4-6-14)21-16(22)11-15(19-18(21)24)20-9-7-12(8-10-20)17(23)26-2/h3-6,11-12H,7-10H2,1-2H3,(H,19,24)
InChIKeyVIHNFNIMKISFRQ-UHFFFAOYSA-N
XLogP0.92
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate (CID 5310573) is methyl 1-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate is COC(=O)C1CCN(c2cc(=O)n(-c3ccc(OC)cc3)c(=O)[nH]2)CC1.
What is the InChIKey of methyl 1-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate?
The InChIKey is VIHNFNIMKISFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-25-14-5-3-13(4-6-14)21-16(22)11-15(19-18(21)24)20-9-7-12(8-10-20)17(23)26-2/h3-6,11-12H,7-10H2,1-2H3,(H,19,24).
What are the key properties of methyl 1-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate?
methyl 1-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate has a molecular weight of 359.38 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate is sourced from PubChem (CID 5310573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).