tert-butyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboxylate

C14H21N3O4 — CID 165433817

IUPACtert-butyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nc(O)cc(=O)[nH]2)CC1
InChIInChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)17-6-4-9(5-7-17)12-15-10(18)8-11(19)16-12/h8-9H,4-7H2,1-3H3,(H2,15,16,18,19)
InChIKeyYXJOKQQZLQTLNW-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.59
Rot. Bonds1

About tert-butyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboxylate

tert-butyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboxylate (PubChem CID 165433817) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is tert-butyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboxylate
PubChem CID165433817
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Nametert-butyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nc(O)cc(=O)[nH]2)CC1
InChIInChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)17-6-4-9(5-7-17)12-15-10(18)8-11(19)16-12/h8-9H,4-7H2,1-3H3,(H2,15,16,18,19)
InChIKeyYXJOKQQZLQTLNW-UHFFFAOYSA-N
XLogP1.59
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboxylate (CID 165433817) is tert-butyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2nc(O)cc(=O)[nH]2)CC1.
What is the InChIKey of tert-butyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboxylate?
The InChIKey is YXJOKQQZLQTLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)17-6-4-9(5-7-17)12-15-10(18)8-11(19)16-12/h8-9H,4-7H2,1-3H3,(H2,15,16,18,19).
What are the key properties of tert-butyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 165433817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).