3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one

C17H22N2O3 — CID 24892364

IUPAC3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one
SMILESCC1CC(C)CN(C(=O)CCn2c(=O)oc3ccccc32)C1
InChIInChI=1S/C17H22N2O3/c1-12-9-13(2)11-18(10-12)16(20)7-8-19-14-5-3-4-6-15(14)22-17(19)21/h3-6,12-13H,7-11H2,1-2H3
InChIKeyZIHNRUZZCPVVSC-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.49
Rot. Bonds3

About 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one

3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one (PubChem CID 24892364) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one
PubChem CID24892364
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one
SMILESCC1CC(C)CN(C(=O)CCn2c(=O)oc3ccccc32)C1
InChIInChI=1S/C17H22N2O3/c1-12-9-13(2)11-18(10-12)16(20)7-8-19-14-5-3-4-6-15(14)22-17(19)21/h3-6,12-13H,7-11H2,1-2H3
InChIKeyZIHNRUZZCPVVSC-UHFFFAOYSA-N
XLogP2.49
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one (CID 24892364) is 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one is CC1CC(C)CN(C(=O)CCn2c(=O)oc3ccccc32)C1.
What is the InChIKey of 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one?
The InChIKey is ZIHNRUZZCPVVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-9-13(2)11-18(10-12)16(20)7-8-19-14-5-3-4-6-15(14)22-17(19)21/h3-6,12-13H,7-11H2,1-2H3.
What are the key properties of 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one?
3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one has a molecular weight of 302.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 24892364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).