3-[(2-methoxyphenyl)methyl]piperidin-2-one

C13H17NO2 — CID 104679153

IUPAC3-[(2-methoxyphenyl)methyl]piperidin-2-one
SMILESCOc1ccccc1CC1CCCNC1=O
InChIInChI=1S/C13H17NO2/c1-16-12-7-3-2-5-10(12)9-11-6-4-8-14-13(11)15/h2-3,5,7,11H,4,6,8-9H2,1H3,(H,14,15)
InChIKeyXCQUPSPQEAVPOM-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.76
Rot. Bonds3

About 3-[(2-methoxyphenyl)methyl]piperidin-2-one

3-[(2-methoxyphenyl)methyl]piperidin-2-one (PubChem CID 104679153) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]piperidin-2-one
PubChem CID104679153
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-[(2-methoxyphenyl)methyl]piperidin-2-one
SMILESCOc1ccccc1CC1CCCNC1=O
InChIInChI=1S/C13H17NO2/c1-16-12-7-3-2-5-10(12)9-11-6-4-8-14-13(11)15/h2-3,5,7,11H,4,6,8-9H2,1H3,(H,14,15)
InChIKeyXCQUPSPQEAVPOM-UHFFFAOYSA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]piperidin-2-one?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]piperidin-2-one (CID 104679153) is 3-[(2-methoxyphenyl)methyl]piperidin-2-one.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]piperidin-2-one?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]piperidin-2-one is COc1ccccc1CC1CCCNC1=O.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]piperidin-2-one?
The InChIKey is XCQUPSPQEAVPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-12-7-3-2-5-10(12)9-11-6-4-8-14-13(11)15/h2-3,5,7,11H,4,6,8-9H2,1H3,(H,14,15).
What are the key properties of 3-[(2-methoxyphenyl)methyl]piperidin-2-one?
3-[(2-methoxyphenyl)methyl]piperidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 104679153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).