tert-butyl 4-(6-hydroxy-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate

C14H21N3O5 — CID 91537808

IUPACtert-butyl 4-(6-hydroxy-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2c(O)cc(=O)[nH]c2=O)CC1
InChIInChI=1S/C14H21N3O5/c1-14(2,3)22-13(21)16-6-4-9(5-7-16)17-11(19)8-10(18)15-12(17)20/h8-9,19H,4-7H2,1-3H3,(H,15,18,20)
InChIKeyMJJRHKUVESXXSW-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.81
Rot. Bonds1

About tert-butyl 4-(6-hydroxy-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate

tert-butyl 4-(6-hydroxy-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate (PubChem CID 91537808) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is tert-butyl 4-(6-hydroxy-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-hydroxy-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate
PubChem CID91537808
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Nametert-butyl 4-(6-hydroxy-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2c(O)cc(=O)[nH]c2=O)CC1
InChIInChI=1S/C14H21N3O5/c1-14(2,3)22-13(21)16-6-4-9(5-7-16)17-11(19)8-10(18)15-12(17)20/h8-9,19H,4-7H2,1-3H3,(H,15,18,20)
InChIKeyMJJRHKUVESXXSW-UHFFFAOYSA-N
XLogP0.81
TPSA104.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 18509724
tert-butyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)piperidine-1-carboxylate
CID 123685463
6-fluoro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 59846683
tert-butyl 6-hydroxy-2,4-dioxopyrimidine-1-carboxylate
CID 90876047
tert-butyl 4-(5-chloro-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 87278624
tert-butyl 4-(5-chloro-6-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59850206
tert-butyl (3R)-3-(5-bromo-2-oxo-3H-benzimidazol-1-yl)pyrrolidine-1-carboxylate
CID 72942826
tert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate
CID 164914870
tert-butyl 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)azepane-1-carboxylate
CID 155679472
tert-butyl 4-(5-cyano-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate
CID 121209940
tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate
CID 171497821
tert-butyl 4-[6-(1-methylpyrrolidin-3-yl)oxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]piperidine-1-carboxylate
CID 172563953

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-hydroxy-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-hydroxy-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate (CID 91537808) is tert-butyl 4-(6-hydroxy-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-hydroxy-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-hydroxy-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2c(O)cc(=O)[nH]c2=O)CC1.
What is the InChIKey of tert-butyl 4-(6-hydroxy-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate?
The InChIKey is MJJRHKUVESXXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c1-14(2,3)22-13(21)16-6-4-9(5-7-16)17-11(19)8-10(18)15-12(17)20/h8-9,19H,4-7H2,1-3H3,(H,15,18,20).
What are the key properties of tert-butyl 4-(6-hydroxy-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(6-hydroxy-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-hydroxy-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 91537808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).