5-[(3-carbamoylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid

C11H15N3O4 — CID 112753450

IUPAC5-[(3-carbamoylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid
SMILESNC(=O)C1CCCN(Cc2oncc2C(=O)O)C1
InChIInChI=1S/C11H15N3O4/c12-10(15)7-2-1-3-14(5-7)6-9-8(11(16)17)4-13-18-9/h4,7H,1-3,5-6H2,(H2,12,15)(H,16,17)
InChIKeyBDPMXCQEYBMCIZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.07
Rot. Bonds4

About 5-[(3-carbamoylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid

5-[(3-carbamoylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 112753450) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-[(3-carbamoylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3-carbamoylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid
PubChem CID112753450
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name5-[(3-carbamoylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid
SMILESNC(=O)C1CCCN(Cc2oncc2C(=O)O)C1
InChIInChI=1S/C11H15N3O4/c12-10(15)7-2-1-3-14(5-7)6-9-8(11(16)17)4-13-18-9/h4,7H,1-3,5-6H2,(H2,12,15)(H,16,17)
InChIKeyBDPMXCQEYBMCIZ-UHFFFAOYSA-N
XLogP0.07
TPSA109.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-carbamoylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[(3-carbamoylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid (CID 112753450) is 5-[(3-carbamoylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[(3-carbamoylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[(3-carbamoylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid is NC(=O)C1CCCN(Cc2oncc2C(=O)O)C1.
What is the InChIKey of 5-[(3-carbamoylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is BDPMXCQEYBMCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c12-10(15)7-2-1-3-14(5-7)6-9-8(11(16)17)4-13-18-9/h4,7H,1-3,5-6H2,(H2,12,15)(H,16,17).
What are the key properties of 5-[(3-carbamoylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid?
5-[(3-carbamoylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-carbamoylpiperidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 112753450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).