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

C16H21NO4 — CID 43239889

IUPAC1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
SMILESCc1ccc(OC(C)C(=O)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C16H21NO4/c1-11-6-8-13(9-7-11)21-12(2)15(18)17-10-4-3-5-14(17)16(19)20/h6-9,12,14H,3-5,10H2,1-2H3,(H,19,20)
InChIKeyREYNOSVQOVEKPE-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.23
Rot. Bonds4

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

1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid (PubChem CID 43239889) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
PubChem CID43239889
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
SMILESCc1ccc(OC(C)C(=O)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C16H21NO4/c1-11-6-8-13(9-7-11)21-12(2)15(18)17-10-4-3-5-14(17)16(19)20/h6-9,12,14H,3-5,10H2,1-2H3,(H,19,20)
InChIKeyREYNOSVQOVEKPE-UHFFFAOYSA-N
XLogP2.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 43239854
(2S)-1-[(2S)-2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 92920729
(2S)-1-[2-(4-chloro-3-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365846
(2S)-1-[2-(3-fluorophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 66263133
1-[2-(3-bromophenoxy)propanoyl]piperidine-2-carboxylic acid
CID 119176168
1-[2-(hydroxymethyl)azepan-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 116636000
(2S)-1-[2-(2-chloro-5-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365437
(2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid
CID 106312491
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
(2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372078
(2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 79035326
1-[2-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119437418

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid (CID 43239889) is 1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid is Cc1ccc(OC(C)C(=O)N2CCCCC2C(=O)O)cc1.
What is the InChIKey of 1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid?
The InChIKey is REYNOSVQOVEKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11-6-8-13(9-7-11)21-12(2)15(18)17-10-4-3-5-14(17)16(19)20/h6-9,12,14H,3-5,10H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid?
1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43239889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).