1-(1,2-oxazol-4-ylmethyl)-4-propylpiperidine-4-carboxylic acid

C13H20N2O3 — CID 63127117

IUPAC1-(1,2-oxazol-4-ylmethyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(Cc2cnoc2)CC1
InChIInChI=1S/C13H20N2O3/c1-2-3-13(12(16)17)4-6-15(7-5-13)9-11-8-14-18-10-11/h8,10H,2-7,9H2,1H3,(H,16,17)
InChIKeyYEPQUHXXWWCRDG-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.14
Rot. Bonds5

About 1-(1,2-oxazol-4-ylmethyl)-4-propylpiperidine-4-carboxylic acid

1-(1,2-oxazol-4-ylmethyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63127117) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(1,2-oxazol-4-ylmethyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1,2-oxazol-4-ylmethyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63127117
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-(1,2-oxazol-4-ylmethyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(Cc2cnoc2)CC1
InChIInChI=1S/C13H20N2O3/c1-2-3-13(12(16)17)4-6-15(7-5-13)9-11-8-14-18-10-11/h8,10H,2-7,9H2,1H3,(H,16,17)
InChIKeyYEPQUHXXWWCRDG-UHFFFAOYSA-N
XLogP2.14
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-4-ylmethyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(1,2-oxazol-4-ylmethyl)-4-propylpiperidine-4-carboxylic acid (CID 63127117) is 1-(1,2-oxazol-4-ylmethyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1,2-oxazol-4-ylmethyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(1,2-oxazol-4-ylmethyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(Cc2cnoc2)CC1.
What is the InChIKey of 1-(1,2-oxazol-4-ylmethyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is YEPQUHXXWWCRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-3-13(12(16)17)4-6-15(7-5-13)9-11-8-14-18-10-11/h8,10H,2-7,9H2,1H3,(H,16,17).
What are the key properties of 1-(1,2-oxazol-4-ylmethyl)-4-propylpiperidine-4-carboxylic acid?
1-(1,2-oxazol-4-ylmethyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-4-ylmethyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63127117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).