1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid

C14H21N3O4 — CID 136958859

IUPAC1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2nc[nH]c(=O)c2OC)CC1
InChIInChI=1S/C14H21N3O4/c1-3-4-14(13(19)20)5-7-17(8-6-14)11-10(21-2)12(18)16-9-15-11/h9H,3-8H2,1-2H3,(H,19,20)(H,15,16,18)
InChIKeyGXQIHSIZXAIZHI-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.25
Rot. Bonds5

About 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid

1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 136958859) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid
PubChem CID136958859
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2nc[nH]c(=O)c2OC)CC1
InChIInChI=1S/C14H21N3O4/c1-3-4-14(13(19)20)5-7-17(8-6-14)11-10(21-2)12(18)16-9-15-11/h9H,3-8H2,1-2H3,(H,19,20)(H,15,16,18)
InChIKeyGXQIHSIZXAIZHI-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid (CID 136958859) is 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(c2nc[nH]c(=O)c2OC)CC1.
What is the InChIKey of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is GXQIHSIZXAIZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-4-14(13(19)20)5-7-17(8-6-14)11-10(21-2)12(18)16-9-15-11/h9H,3-8H2,1-2H3,(H,19,20)(H,15,16,18).
What are the key properties of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid?
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 136958859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).