1-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

C14H20N4O3 — CID 136958592

IUPAC1-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C14H20N4O3/c19-13-8-12(15-9-16-13)17-6-3-10(4-7-17)18-5-1-2-11(18)14(20)21/h8-11H,1-7H2,(H,20,21)(H,15,16,19)
InChIKeyQJXUJROMAJXXRC-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.29
Rot. Bonds3

About 1-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

1-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 136958592) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID136958592
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C14H20N4O3/c19-13-8-12(15-9-16-13)17-6-3-10(4-7-17)18-5-1-2-11(18)14(20)21/h8-11H,1-7H2,(H,20,21)(H,15,16,19)
InChIKeyQJXUJROMAJXXRC-UHFFFAOYSA-N
XLogP0.29
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 136958592) is 1-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C1CCN(c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 1-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is QJXUJROMAJXXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-13-8-12(15-9-16-13)17-6-3-10(4-7-17)18-5-1-2-11(18)14(20)21/h8-11H,1-7H2,(H,20,21)(H,15,16,19).
What are the key properties of 1-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
1-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 136958592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).