3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-1,3-benzoxazol-2-one

C21H30N2O3 — CID 25199525

IUPAC3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-1,3-benzoxazol-2-one
SMILESCCOC1CCC(C)(N2CCC(n3c(=O)oc4ccccc43)CC2)CC1
InChIInChI=1S/C21H30N2O3/c1-3-25-17-8-12-21(2,13-9-17)22-14-10-16(11-15-22)23-18-6-4-5-7-19(18)26-20(23)24/h4-7,16-17H,3,8-15H2,1-2H3
InChIKeyCGXQSGGPBGLGOJ-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.97
Rot. Bonds4

About 3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-1,3-benzoxazol-2-one

3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-1,3-benzoxazol-2-one (PubChem CID 25199525) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-1,3-benzoxazol-2-one
PubChem CID25199525
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-1,3-benzoxazol-2-one
SMILESCCOC1CCC(C)(N2CCC(n3c(=O)oc4ccccc43)CC2)CC1
InChIInChI=1S/C21H30N2O3/c1-3-25-17-8-12-21(2,13-9-17)22-14-10-16(11-15-22)23-18-6-4-5-7-19(18)26-20(23)24/h4-7,16-17H,3,8-15H2,1-2H3
InChIKeyCGXQSGGPBGLGOJ-UHFFFAOYSA-N
XLogP3.97
TPSA47.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-1,3-benzoxazol-2-one (CID 25199525) is 3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-1,3-benzoxazol-2-one is CCOC1CCC(C)(N2CCC(n3c(=O)oc4ccccc43)CC2)CC1.
What is the InChIKey of 3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-1,3-benzoxazol-2-one?
The InChIKey is CGXQSGGPBGLGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-3-25-17-8-12-21(2,13-9-17)22-14-10-16(11-15-22)23-18-6-4-5-7-19(18)26-20(23)24/h4-7,16-17H,3,8-15H2,1-2H3.
What are the key properties of 3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-1,3-benzoxazol-2-one?
3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-1,3-benzoxazol-2-one has a molecular weight of 358.48 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 25199525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).