(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid

C15H19NO4 — CID 79034352

IUPAC(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
SMILESCOc1ccccc1CC(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C15H19NO4/c1-20-13-8-3-2-6-11(13)10-14(17)16-9-5-4-7-12(16)15(18)19/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyKRCHDVCKXMTKRP-GFCCVEGCSA-N
MW277.32 g/mol
LogP1.70
Rot. Bonds4

About (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid

(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid (PubChem CID 79034352) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
PubChem CID79034352
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
SMILESCOc1ccccc1CC(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C15H19NO4/c1-20-13-8-3-2-6-11(13)10-14(17)16-9-5-4-7-12(16)15(18)19/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyKRCHDVCKXMTKRP-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

methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835759
(2R)-1-[2-(2-propan-2-yloxyphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371810
1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 119176135
(2S)-1-[2-(2-methoxy-5-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 61137099
1-[2-(2,2-diphenylethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 22909573
(2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923027
1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 95281338
1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid
CID 43822910
(2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid
CID 124683442
1-[2-(2-methoxyanilino)acetyl]pyrrolidine-2-carboxylic acid
CID 119356018
(2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79035338
1-[2-(3-methoxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64559530

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid (CID 79034352) is (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid is COc1ccccc1CC(=O)N1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is KRCHDVCKXMTKRP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19NO4/c1-20-13-8-3-2-6-11(13)10-14(17)16-9-5-4-7-12(16)15(18)19/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid?
(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-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 (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 79034352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).