4-(4-carbamoylpiperidin-1-yl)pyrimidine-5-carboxylic acid

C11H14N4O3 — CID 114213997

IUPAC4-(4-carbamoylpiperidin-1-yl)pyrimidine-5-carboxylic acid
SMILESNC(=O)C1CCN(c2ncncc2C(=O)O)CC1
InChIInChI=1S/C11H14N4O3/c12-9(16)7-1-3-15(4-2-7)10-8(11(17)18)5-13-6-14-10/h5-7H,1-4H2,(H2,12,16)(H,17,18)
InChIKeyWFUMAZRUHVZYNR-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.12
Rot. Bonds3

About 4-(4-carbamoylpiperidin-1-yl)pyrimidine-5-carboxylic acid

4-(4-carbamoylpiperidin-1-yl)pyrimidine-5-carboxylic acid (PubChem CID 114213997) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-(4-carbamoylpiperidin-1-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-carbamoylpiperidin-1-yl)pyrimidine-5-carboxylic acid
PubChem CID114213997
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name4-(4-carbamoylpiperidin-1-yl)pyrimidine-5-carboxylic acid
SMILESNC(=O)C1CCN(c2ncncc2C(=O)O)CC1
InChIInChI=1S/C11H14N4O3/c12-9(16)7-1-3-15(4-2-7)10-8(11(17)18)5-13-6-14-10/h5-7H,1-4H2,(H2,12,16)(H,17,18)
InChIKeyWFUMAZRUHVZYNR-UHFFFAOYSA-N
XLogP-0.12
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoylpiperidin-1-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(4-carbamoylpiperidin-1-yl)pyrimidine-5-carboxylic acid (CID 114213997) is 4-(4-carbamoylpiperidin-1-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(4-carbamoylpiperidin-1-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(4-carbamoylpiperidin-1-yl)pyrimidine-5-carboxylic acid is NC(=O)C1CCN(c2ncncc2C(=O)O)CC1.
What is the InChIKey of 4-(4-carbamoylpiperidin-1-yl)pyrimidine-5-carboxylic acid?
The InChIKey is WFUMAZRUHVZYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-9(16)7-1-3-15(4-2-7)10-8(11(17)18)5-13-6-14-10/h5-7H,1-4H2,(H2,12,16)(H,17,18).
What are the key properties of 4-(4-carbamoylpiperidin-1-yl)pyrimidine-5-carboxylic acid?
4-(4-carbamoylpiperidin-1-yl)pyrimidine-5-carboxylic acid has a molecular weight of 250.26 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoylpiperidin-1-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 114213997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).