1-[2-(4-ethylphenoxy)propanoyl]piperidine-4-carboxylic acid

C17H23NO4 — CID 54793784

IUPAC1-[2-(4-ethylphenoxy)propanoyl]piperidine-4-carboxylic acid
SMILESCCc1ccc(OC(C)C(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C17H23NO4/c1-3-13-4-6-15(7-5-13)22-12(2)16(19)18-10-8-14(9-11-18)17(20)21/h4-7,12,14H,3,8-11H2,1-2H3,(H,20,21)
InChIKeySLYLOUWPPZNUDU-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.34
Rot. Bonds5

About 1-[2-(4-ethylphenoxy)propanoyl]piperidine-4-carboxylic acid

1-[2-(4-ethylphenoxy)propanoyl]piperidine-4-carboxylic acid (PubChem CID 54793784) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-[2-(4-ethylphenoxy)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-ethylphenoxy)propanoyl]piperidine-4-carboxylic acid
PubChem CID54793784
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name1-[2-(4-ethylphenoxy)propanoyl]piperidine-4-carboxylic acid
SMILESCCc1ccc(OC(C)C(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C17H23NO4/c1-3-13-4-6-15(7-5-13)22-12(2)16(19)18-10-8-14(9-11-18)17(20)21/h4-7,12,14H,3,8-11H2,1-2H3,(H,20,21)
InChIKeySLYLOUWPPZNUDU-UHFFFAOYSA-N
XLogP2.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one
CID 82043331
2-(4-ethylphenoxy)-1-[4-[2-(4-ethylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981285
1-[4-(2-chloropropanoyl)piperazin-1-yl]-2-(4-ethylphenoxy)propan-1-one
CID 146086073
(2S)-2-[4-[(2S)-2-(4-ethylphenoxy)propanoyl]piperazin-1-yl]propanoic acid
CID 124683688
1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63032662
1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-2-(4-ethylphenoxy)propan-1-one;hydrochloride
CID 119796866
(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethylphenoxy)propan-1-one
CID 51704521
2-(4-ethylphenoxy)-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one
CID 111434630
ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118
1-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-2-(4-ethylphenoxy)propan-1-one
CID 119796851
methyl 1-[2-(4-ethylphenoxy)butanoyl]piperidine-4-carboxylate
CID 132651627
1-[2-(2,6-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 54793718

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenoxy)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4-ethylphenoxy)propanoyl]piperidine-4-carboxylic acid (CID 54793784) is 1-[2-(4-ethylphenoxy)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-ethylphenoxy)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-ethylphenoxy)propanoyl]piperidine-4-carboxylic acid is CCc1ccc(OC(C)C(=O)N2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[2-(4-ethylphenoxy)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is SLYLOUWPPZNUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-3-13-4-6-15(7-5-13)22-12(2)16(19)18-10-8-14(9-11-18)17(20)21/h4-7,12,14H,3,8-11H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-(4-ethylphenoxy)propanoyl]piperidine-4-carboxylic acid?
1-[2-(4-ethylphenoxy)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenoxy)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 54793784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).