(1-methylpiperidin-3-yl) 2-(1,2-benzoxazol-3-yl)acetate

C15H18N2O3 — CID 13247709

IUPAC(1-methylpiperidin-3-yl) 2-(1,2-benzoxazol-3-yl)acetate
SMILESCN1CCCC(OC(=O)Cc2noc3ccccc23)C1
InChIInChI=1S/C15H18N2O3/c1-17-8-4-5-11(10-17)19-15(18)9-13-12-6-2-3-7-14(12)20-16-13/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyDYINVEIYPZDVDI-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.01
Rot. Bonds3

About (1-methylpiperidin-3-yl) 2-(1,2-benzoxazol-3-yl)acetate

(1-methylpiperidin-3-yl) 2-(1,2-benzoxazol-3-yl)acetate (PubChem CID 13247709) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl) 2-(1,2-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl) 2-(1,2-benzoxazol-3-yl)acetate
PubChem CID13247709
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(1-methylpiperidin-3-yl) 2-(1,2-benzoxazol-3-yl)acetate
SMILESCN1CCCC(OC(=O)Cc2noc3ccccc23)C1
InChIInChI=1S/C15H18N2O3/c1-17-8-4-5-11(10-17)19-15(18)9-13-12-6-2-3-7-14(12)20-16-13/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyDYINVEIYPZDVDI-UHFFFAOYSA-N
XLogP2.01
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl) 2-(1,2-benzoxazol-3-yl)acetate?
The IUPAC name of (1-methylpiperidin-3-yl) 2-(1,2-benzoxazol-3-yl)acetate (CID 13247709) is (1-methylpiperidin-3-yl) 2-(1,2-benzoxazol-3-yl)acetate.
What is the SMILES notation for (1-methylpiperidin-3-yl) 2-(1,2-benzoxazol-3-yl)acetate?
The canonical SMILES for (1-methylpiperidin-3-yl) 2-(1,2-benzoxazol-3-yl)acetate is CN1CCCC(OC(=O)Cc2noc3ccccc23)C1.
What is the InChIKey of (1-methylpiperidin-3-yl) 2-(1,2-benzoxazol-3-yl)acetate?
The InChIKey is DYINVEIYPZDVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-17-8-4-5-11(10-17)19-15(18)9-13-12-6-2-3-7-14(12)20-16-13/h2-3,6-7,11H,4-5,8-10H2,1H3.
What are the key properties of (1-methylpiperidin-3-yl) 2-(1,2-benzoxazol-3-yl)acetate?
(1-methylpiperidin-3-yl) 2-(1,2-benzoxazol-3-yl)acetate has a molecular weight of 274.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl) 2-(1,2-benzoxazol-3-yl)acetate is sourced from PubChem (CID 13247709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).