cyclobutyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone

C17H23NO2 — CID 53319606

IUPACcyclobutyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1cccc(C2CCN(C(=O)C3CCC3)CC2)c1
InChIInChI=1S/C17H23NO2/c1-20-16-7-3-6-15(12-16)13-8-10-18(11-9-13)17(19)14-4-2-5-14/h3,6-7,12-14H,2,4-5,8-11H2,1H3
InChIKeyRMCLYURPRGJFPR-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.20
Rot. Bonds3

About cyclobutyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone

cyclobutyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone (PubChem CID 53319606) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is cyclobutyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
PubChem CID53319606
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Namecyclobutyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1cccc(C2CCN(C(=O)C3CCC3)CC2)c1
InChIInChI=1S/C17H23NO2/c1-20-16-7-3-6-15(12-16)13-8-10-18(11-9-13)17(19)14-4-2-5-14/h3,6-7,12-14H,2,4-5,8-11H2,1H3
InChIKeyRMCLYURPRGJFPR-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone (CID 53319606) is cyclobutyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone is COc1cccc(C2CCN(C(=O)C3CCC3)CC2)c1.
What is the InChIKey of cyclobutyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone?
The InChIKey is RMCLYURPRGJFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-20-16-7-3-6-15(12-16)13-8-10-18(11-9-13)17(19)14-4-2-5-14/h3,6-7,12-14H,2,4-5,8-11H2,1H3.
What are the key properties of cyclobutyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone?
cyclobutyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone has a molecular weight of 273.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53319606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).