4-propyl-1-(pyrimidin-5-ylcarbamoyl)piperidine-4-carboxylic acid

C14H20N4O3 — CID 107589365

IUPAC4-propyl-1-(pyrimidin-5-ylcarbamoyl)piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)Nc2cncnc2)CC1
InChIInChI=1S/C14H20N4O3/c1-2-3-14(12(19)20)4-6-18(7-5-14)13(21)17-11-8-15-10-16-9-11/h8-10H,2-7H2,1H3,(H,17,21)(H,19,20)
InChIKeyZSGZEQFWWMAZNZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.98
Rot. Bonds4

About 4-propyl-1-(pyrimidin-5-ylcarbamoyl)piperidine-4-carboxylic acid

4-propyl-1-(pyrimidin-5-ylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 107589365) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-propyl-1-(pyrimidin-5-ylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-propyl-1-(pyrimidin-5-ylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID107589365
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name4-propyl-1-(pyrimidin-5-ylcarbamoyl)piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)Nc2cncnc2)CC1
InChIInChI=1S/C14H20N4O3/c1-2-3-14(12(19)20)4-6-18(7-5-14)13(21)17-11-8-15-10-16-9-11/h8-10H,2-7H2,1H3,(H,17,21)(H,19,20)
InChIKeyZSGZEQFWWMAZNZ-UHFFFAOYSA-N
XLogP1.98
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-(pyrimidin-5-ylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-propyl-1-(pyrimidin-5-ylcarbamoyl)piperidine-4-carboxylic acid (CID 107589365) is 4-propyl-1-(pyrimidin-5-ylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-propyl-1-(pyrimidin-5-ylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-propyl-1-(pyrimidin-5-ylcarbamoyl)piperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)Nc2cncnc2)CC1.
What is the InChIKey of 4-propyl-1-(pyrimidin-5-ylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is ZSGZEQFWWMAZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-2-3-14(12(19)20)4-6-18(7-5-14)13(21)17-11-8-15-10-16-9-11/h8-10H,2-7H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 4-propyl-1-(pyrimidin-5-ylcarbamoyl)piperidine-4-carboxylic acid?
4-propyl-1-(pyrimidin-5-ylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-(pyrimidin-5-ylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 107589365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).