1-[2-[(4-methoxyphenyl)methoxy]acetyl]piperidin-4-one

C15H19NO4 — CID 62030252

IUPAC1-[2-[(4-methoxyphenyl)methoxy]acetyl]piperidin-4-one
SMILESCOc1ccc(COCC(=O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C15H19NO4/c1-19-14-4-2-12(3-5-14)10-20-11-15(18)16-8-6-13(17)7-9-16/h2-5H,6-11H2,1H3
InChIKeyXQGIEWDUFSJWMS-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.40
Rot. Bonds5

About 1-[2-[(4-methoxyphenyl)methoxy]acetyl]piperidin-4-one

1-[2-[(4-methoxyphenyl)methoxy]acetyl]piperidin-4-one (PubChem CID 62030252) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[2-[(4-methoxyphenyl)methoxy]acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-[(4-methoxyphenyl)methoxy]acetyl]piperidin-4-one
PubChem CID62030252
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-[2-[(4-methoxyphenyl)methoxy]acetyl]piperidin-4-one
SMILESCOc1ccc(COCC(=O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C15H19NO4/c1-19-14-4-2-12(3-5-14)10-20-11-15(18)16-8-6-13(17)7-9-16/h2-5H,6-11H2,1H3
InChIKeyXQGIEWDUFSJWMS-UHFFFAOYSA-N
XLogP1.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methoxyphenyl)methoxy]acetyl]piperidin-4-one?
The IUPAC name of 1-[2-[(4-methoxyphenyl)methoxy]acetyl]piperidin-4-one (CID 62030252) is 1-[2-[(4-methoxyphenyl)methoxy]acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-[(4-methoxyphenyl)methoxy]acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-[(4-methoxyphenyl)methoxy]acetyl]piperidin-4-one is COc1ccc(COCC(=O)N2CCC(=O)CC2)cc1.
What is the InChIKey of 1-[2-[(4-methoxyphenyl)methoxy]acetyl]piperidin-4-one?
The InChIKey is XQGIEWDUFSJWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-19-14-4-2-12(3-5-14)10-20-11-15(18)16-8-6-13(17)7-9-16/h2-5H,6-11H2,1H3.
What are the key properties of 1-[2-[(4-methoxyphenyl)methoxy]acetyl]piperidin-4-one?
1-[2-[(4-methoxyphenyl)methoxy]acetyl]piperidin-4-one has a molecular weight of 277.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methoxyphenyl)methoxy]acetyl]piperidin-4-one is sourced from PubChem (CID 62030252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).