1-[2-(4-phenacyloxyphenyl)ethyl]piperidine-4-carboxylic acid

C22H25NO4 — CID 141156895

IUPAC1-[2-(4-phenacyloxyphenyl)ethyl]piperidine-4-carboxylic acid
SMILESO=C(COc1ccc(CCN2CCC(C(=O)O)CC2)cc1)c1ccccc1
InChIInChI=1S/C22H25NO4/c24-21(18-4-2-1-3-5-18)16-27-20-8-6-17(7-9-20)10-13-23-14-11-19(12-15-23)22(25)26/h1-9,19H,10-16H2,(H,25,26)
InChIKeyXHYODZKSBITGSQ-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.29
Rot. Bonds8

About 1-[2-(4-phenacyloxyphenyl)ethyl]piperidine-4-carboxylic acid

1-[2-(4-phenacyloxyphenyl)ethyl]piperidine-4-carboxylic acid (PubChem CID 141156895) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[2-(4-phenacyloxyphenyl)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-phenacyloxyphenyl)ethyl]piperidine-4-carboxylic acid
PubChem CID141156895
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name1-[2-(4-phenacyloxyphenyl)ethyl]piperidine-4-carboxylic acid
SMILESO=C(COc1ccc(CCN2CCC(C(=O)O)CC2)cc1)c1ccccc1
InChIInChI=1S/C22H25NO4/c24-21(18-4-2-1-3-5-18)16-27-20-8-6-17(7-9-20)10-13-23-14-11-19(12-15-23)22(25)26/h1-9,19H,10-16H2,(H,25,26)
InChIKeyXHYODZKSBITGSQ-UHFFFAOYSA-N
XLogP3.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
phenyl 1-(2-phenylethyl)piperidine-4-carboxylate
CID 102339946
1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 82255469
CID 123801738
CID 123801738
1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3912866
1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid
CID 119908222
1-[2-[[6-(3-phenylpropoxy)-3-pyridinyl]oxy]ethyl]piperidine-4-carboxylic acid
CID 58723260
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
1-[2-(3-bromophenyl)ethyl]piperidine-4-carboxylic acid
CID 95404985
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 11036347
3-[4-[(4-phenacyloxyphenyl)methoxy]phenyl]propanamide
CID 66685338

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-phenacyloxyphenyl)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4-phenacyloxyphenyl)ethyl]piperidine-4-carboxylic acid (CID 141156895) is 1-[2-(4-phenacyloxyphenyl)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-phenacyloxyphenyl)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-phenacyloxyphenyl)ethyl]piperidine-4-carboxylic acid is O=C(COc1ccc(CCN2CCC(C(=O)O)CC2)cc1)c1ccccc1.
What is the InChIKey of 1-[2-(4-phenacyloxyphenyl)ethyl]piperidine-4-carboxylic acid?
The InChIKey is XHYODZKSBITGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c24-21(18-4-2-1-3-5-18)16-27-20-8-6-17(7-9-20)10-13-23-14-11-19(12-15-23)22(25)26/h1-9,19H,10-16H2,(H,25,26).
What are the key properties of 1-[2-(4-phenacyloxyphenyl)ethyl]piperidine-4-carboxylic acid?
1-[2-(4-phenacyloxyphenyl)ethyl]piperidine-4-carboxylic acid has a molecular weight of 367.45 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-phenacyloxyphenyl)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 141156895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).