3-methyl-5-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one

C15H20N2O2 — CID 116925717

IUPAC3-methyl-5-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(CCC3CCNCC3)cc21
InChIInChI=1S/C15H20N2O2/c1-17-13-10-12(4-5-14(13)19-15(17)18)3-2-11-6-8-16-9-7-11/h4-5,10-11,16H,2-3,6-9H2,1H3
InChIKeyKEBUFGGHVRHUFX-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.06
Rot. Bonds3

About 3-methyl-5-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one

3-methyl-5-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one (PubChem CID 116925717) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-methyl-5-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-5-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one
PubChem CID116925717
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-methyl-5-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(CCC3CCNCC3)cc21
InChIInChI=1S/C15H20N2O2/c1-17-13-10-12(4-5-14(13)19-15(17)18)3-2-11-6-8-16-9-7-11/h4-5,10-11,16H,2-3,6-9H2,1H3
InChIKeyKEBUFGGHVRHUFX-UHFFFAOYSA-N
XLogP2.06
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(1,4-diazepan-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one
CID 98033822
3-methyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazol-2-one
CID 82498141
3-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one
CID 61345343
3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoic acid
CID 82494222
(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium
CID 143272906
3-methyl-6-[2-(pyrrolidin-3-ylamino)ethyl]-1,3-benzoxazol-2-one
CID 115119054
3-methyl-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one
CID 110683394
3-methyl-5-[2-(methylaminomethylamino)ethyl]-1,3-benzoxazol-2-one
CID 115227229
2-methyl-6-(2-piperidin-4-ylethyl)-1,3-benzoxazole
CID 116925708
methyl-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]cyanamide
CID 117043553
5-chloro-3-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-one
CID 82105315
2-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanoic acid
CID 116926949

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-5-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one (CID 116925717) is 3-methyl-5-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-5-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-5-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one is Cn1c(=O)oc2ccc(CCC3CCNCC3)cc21.
What is the InChIKey of 3-methyl-5-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one?
The InChIKey is KEBUFGGHVRHUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17-13-10-12(4-5-14(13)19-15(17)18)3-2-11-6-8-16-9-7-11/h4-5,10-11,16H,2-3,6-9H2,1H3.
What are the key properties of 3-methyl-5-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one?
3-methyl-5-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one has a molecular weight of 260.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-piperidin-4-ylethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 116925717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).