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

C14H21N3O4 — CID 60705865

IUPACmethyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C14H21N3O4/c1-15-11(8-12(18)16(2)14(15)20)9-17-6-4-10(5-7-17)13(19)21-3/h8,10H,4-7,9H2,1-3H3
InChIKeyKCRQIBMIIHOPJY-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.53
Rot. Bonds3

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

methyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate (PubChem CID 60705865) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate
PubChem CID60705865
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Namemethyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C14H21N3O4/c1-15-11(8-12(18)16(2)14(15)20)9-17-6-4-10(5-7-17)13(19)21-3/h8,10H,4-7,9H2,1-3H3
InChIKeyKCRQIBMIIHOPJY-UHFFFAOYSA-N
XLogP-0.53
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate (CID 60705865) is methyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate is COC(=O)C1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1.
What is the InChIKey of methyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate?
The InChIKey is KCRQIBMIIHOPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-15-11(8-12(18)16(2)14(15)20)9-17-6-4-10(5-7-17)13(19)21-3/h8,10H,4-7,9H2,1-3H3.
What are the key properties of methyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate?
methyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate has a molecular weight of 295.34 g/mol, XLogP of -0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 60705865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).