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

C15H19NO4 — CID 42257542

IUPAC(3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid
SMILESCc1ccc(OCC(=O)N2CCC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C15H19NO4/c1-11-4-6-13(7-5-11)20-10-14(17)16-8-2-3-12(9-16)15(18)19/h4-7,12H,2-3,8-10H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyVDSZZDBSNZKWLC-GFCCVEGCSA-N
MW277.32 g/mol
LogP1.70
Rot. Bonds4

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

(3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid (PubChem CID 42257542) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid
PubChem CID42257542
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid
SMILESCc1ccc(OCC(=O)N2CCC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C15H19NO4/c1-11-4-6-13(7-5-11)20-10-14(17)16-8-2-3-12(9-16)15(18)19/h4-7,12H,2-3,8-10H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyVDSZZDBSNZKWLC-GFCCVEGCSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 45429347
(3R)-1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 51518691
(3S)-1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 81120930
(3R)-1-[2-(3,4-dichlorophenoxy)acetyl]piperidine-3-carboxylic acid
CID 81126899
(3S)-1-[2-(2-chloro-5-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 78923375
1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43092125
1-[2-(2-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43239597
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(4-methylphenoxy)ethanone
CID 110798942
1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63030415
1-[2-(2,3-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43092118
(3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81118292
(3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257555

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid (CID 42257542) is (3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid is Cc1ccc(OCC(=O)N2CCC[C@@H](C(=O)O)C2)cc1.
What is the InChIKey of (3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid?
The InChIKey is VDSZZDBSNZKWLC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11-4-6-13(7-5-11)20-10-14(17)16-8-2-3-12(9-16)15(18)19/h4-7,12H,2-3,8-10H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid?
(3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 42257542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).