1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid

C17H23NO5 — CID 45429347

IUPAC1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid
SMILESCCCOc1ccc(OCC(=O)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C17H23NO5/c1-2-10-22-14-5-7-15(8-6-14)23-12-16(19)18-9-3-4-13(11-18)17(20)21/h5-8,13H,2-4,9-12H2,1H3,(H,20,21)
InChIKeyNWBHXPWLIINQTE-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.18
Rot. Bonds7

About 1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid

1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid (PubChem CID 45429347) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid
PubChem CID45429347
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid
SMILESCCCOc1ccc(OCC(=O)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C17H23NO5/c1-2-10-22-14-5-7-15(8-6-14)23-12-16(19)18-9-3-4-13(11-18)17(20)21/h5-8,13H,2-4,9-12H2,1H3,(H,20,21)
InChIKeyNWBHXPWLIINQTE-UHFFFAOYSA-N
XLogP2.18
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257542
ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 51969024
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
(3S)-1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 81120930
(3R)-1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 51518691
(3R)-1-[2-(3,4-dichlorophenoxy)acetyl]piperidine-3-carboxylic acid
CID 81126899
1-(2-butoxyacetyl)piperidine-3-carboxylic acid
CID 119167446
1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 119167136
1-[3-(4-bromophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 43171031
(3S)-1-[3-(4-bromophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 81120736
(3R)-1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 129382420
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 119483421

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid (CID 45429347) is 1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid is CCCOc1ccc(OCC(=O)N2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid?
The InChIKey is NWBHXPWLIINQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-2-10-22-14-5-7-15(8-6-14)23-12-16(19)18-9-3-4-13(11-18)17(20)21/h5-8,13H,2-4,9-12H2,1H3,(H,20,21).
What are the key properties of 1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid?
1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid has a molecular weight of 321.37 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 45429347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).