4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid

C15H19NO4 — CID 68604731

IUPAC4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid
SMILESCC(=O)c1ccccc1OCC1CCN(C(=O)O)CC1
InChIInChI=1S/C15H19NO4/c1-11(17)13-4-2-3-5-14(13)20-10-12-6-8-16(9-7-12)15(18)19/h2-5,12H,6-10H2,1H3,(H,18,19)
InChIKeyAIAGITYCIOBFDQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.66
Rot. Bonds4

About 4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid

4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid (PubChem CID 68604731) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid
PubChem CID68604731
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid
SMILESCC(=O)c1ccccc1OCC1CCN(C(=O)O)CC1
InChIInChI=1S/C15H19NO4/c1-11(17)13-4-2-3-5-14(13)20-10-12-6-8-16(9-7-12)15(18)19/h2-5,12H,6-10H2,1H3,(H,18,19)
InChIKeyAIAGITYCIOBFDQ-UHFFFAOYSA-N
XLogP2.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646664
4-[(3-amino-2-cyanophenoxy)methyl]piperidine-1-carboxylic acid
CID 66746354
2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetic acid
CID 59577070
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 60965814
methyl 4-[(2-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110411471
[2-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 50846409
1-[2-[[(1R,2S)-2-methylcyclohexyl]methoxy]phenyl]ethanone
CID 143528643
1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 62204691
[2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119623869
2-bromo-1-[2-(cyclopropylmethoxy)phenyl]ethanone
CID 95927871
1-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one
CID 50846376
1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]phenyl]ethanone
CID 43128843

Frequently Asked Questions

What is the IUPAC name of 4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid (CID 68604731) is 4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid is CC(=O)c1ccccc1OCC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid?
The InChIKey is AIAGITYCIOBFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11(17)13-4-2-3-5-14(13)20-10-12-6-8-16(9-7-12)15(18)19/h2-5,12H,6-10H2,1H3,(H,18,19).
What are the key properties of 4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid?
4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 68604731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).