propan-2-yl 4-[(2-oxo-1-pyrimidin-5-yl-4-pyridinyl)oxy]piperidine-1-carboxylate

C18H22N4O4 — CID 57468424

IUPACpropan-2-yl 4-[(2-oxo-1-pyrimidin-5-yl-4-pyridinyl)oxy]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Oc2ccn(-c3cncnc3)c(=O)c2)CC1
InChIInChI=1S/C18H22N4O4/c1-13(2)25-18(24)21-6-3-15(4-7-21)26-16-5-8-22(17(23)9-16)14-10-19-12-20-11-14/h5,8-13,15H,3-4,6-7H2,1-2H3
InChIKeyHZUSNOGZSNMROI-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.02
Rot. Bonds4

About propan-2-yl 4-[(2-oxo-1-pyrimidin-5-yl-4-pyridinyl)oxy]piperidine-1-carboxylate

propan-2-yl 4-[(2-oxo-1-pyrimidin-5-yl-4-pyridinyl)oxy]piperidine-1-carboxylate (PubChem CID 57468424) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is propan-2-yl 4-[(2-oxo-1-pyrimidin-5-yl-4-pyridinyl)oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[(2-oxo-1-pyrimidin-5-yl-4-pyridinyl)oxy]piperidine-1-carboxylate
PubChem CID57468424
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Namepropan-2-yl 4-[(2-oxo-1-pyrimidin-5-yl-4-pyridinyl)oxy]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Oc2ccn(-c3cncnc3)c(=O)c2)CC1
InChIInChI=1S/C18H22N4O4/c1-13(2)25-18(24)21-6-3-15(4-7-21)26-16-5-8-22(17(23)9-16)14-10-19-12-20-11-14/h5,8-13,15H,3-4,6-7H2,1-2H3
InChIKeyHZUSNOGZSNMROI-UHFFFAOYSA-N
XLogP2.02
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 4-[(2-oxo-1-pyrimidin-5-yl-4-pyridinyl)oxy]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

propan-2-yl 4-[[2-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 57468364
4-[[1-(4-methoxyphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 57468346
4-[1-(3-methylbutanoyl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
CID 25204781
propan-2-yl 4-[3-(4-methylsulfonylphenyl)phenoxy]piperidine-1-carboxylate
CID 143981454
propan-2-yl 4-[4-[3-(tetrazol-1-yl)phenyl]phenoxy]piperidine-1-carboxylate
CID 143981442
2-phenyl-1-[4-(1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)oxypiperidin-1-yl]ethanone
CID 134805396
4-(1-benzoylpiperidin-4-yl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
CID 25204715
propan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58484438
propan-2-yl 4-[6-[(5-cyano-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57390603
cyclohexa-1,5-dien-1-yl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 143747954
N-cyclopentyl-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxamide
CID 25205058
propan-2-yl 4-[3-cyano-1-(3-fluoro-4-isocyanophenyl)-6-oxopyridazin-4-yl]oxypiperidine-1-carboxylate
CID 58483093

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(2-oxo-1-pyrimidin-5-yl-4-pyridinyl)oxy]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[(2-oxo-1-pyrimidin-5-yl-4-pyridinyl)oxy]piperidine-1-carboxylate (CID 57468424) is propan-2-yl 4-[(2-oxo-1-pyrimidin-5-yl-4-pyridinyl)oxy]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[(2-oxo-1-pyrimidin-5-yl-4-pyridinyl)oxy]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[(2-oxo-1-pyrimidin-5-yl-4-pyridinyl)oxy]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(Oc2ccn(-c3cncnc3)c(=O)c2)CC1.
What is the InChIKey of propan-2-yl 4-[(2-oxo-1-pyrimidin-5-yl-4-pyridinyl)oxy]piperidine-1-carboxylate?
The InChIKey is HZUSNOGZSNMROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-13(2)25-18(24)21-6-3-15(4-7-21)26-16-5-8-22(17(23)9-16)14-10-19-12-20-11-14/h5,8-13,15H,3-4,6-7H2,1-2H3.
What are the key properties of propan-2-yl 4-[(2-oxo-1-pyrimidin-5-yl-4-pyridinyl)oxy]piperidine-1-carboxylate?
propan-2-yl 4-[(2-oxo-1-pyrimidin-5-yl-4-pyridinyl)oxy]piperidine-1-carboxylate has a molecular weight of 358.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(2-oxo-1-pyrimidin-5-yl-4-pyridinyl)oxy]piperidine-1-carboxylate is sourced from PubChem (CID 57468424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).