3-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]butanoic acid

C14H21N3O4 — CID 136959346

IUPAC3-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]butanoic acid
SMILESCOc1c(N2CCCC(C(C)CC(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C14H21N3O4/c1-9(6-11(18)19)10-4-3-5-17(7-10)13-12(21-2)14(20)16-8-15-13/h8-10H,3-7H2,1-2H3,(H,18,19)(H,15,16,20)
InChIKeyVLBZYLNCKFKSLM-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.11
Rot. Bonds5

About 3-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]butanoic acid

3-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]butanoic acid (PubChem CID 136959346) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]butanoic acid
PubChem CID136959346
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name3-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]butanoic acid
SMILESCOc1c(N2CCCC(C(C)CC(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C14H21N3O4/c1-9(6-11(18)19)10-4-3-5-17(7-10)13-12(21-2)14(20)16-8-15-13/h8-10H,3-7H2,1-2H3,(H,18,19)(H,15,16,20)
InChIKeyVLBZYLNCKFKSLM-UHFFFAOYSA-N
XLogP1.11
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]butanoic acid (CID 136959346) is 3-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]butanoic acid is COc1c(N2CCCC(C(C)CC(=O)O)C2)nc[nH]c1=O.
What is the InChIKey of 3-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]butanoic acid?
The InChIKey is VLBZYLNCKFKSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-9(6-11(18)19)10-4-3-5-17(7-10)13-12(21-2)14(20)16-8-15-13/h8-10H,3-7H2,1-2H3,(H,18,19)(H,15,16,20).
What are the key properties of 3-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]butanoic acid?
3-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]butanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 136959346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).