(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid

C15H19NO4 — CID 81119430

IUPAC(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid
SMILESCC(Oc1ccccc1)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H19NO4/c1-11(20-13-7-3-2-4-8-13)14(17)16-9-5-6-12(10-16)15(18)19/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,18,19)/t11?,12-/m1/s1
InChIKeyLFPDLHVGXNEXSN-PIJUOVFKSA-N
MW277.32 g/mol
LogP1.78
Rot. Bonds4

About (3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid

(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid (PubChem CID 81119430) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid
PubChem CID81119430
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid
SMILESCC(Oc1ccccc1)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H19NO4/c1-11(20-13-7-3-2-4-8-13)14(17)16-9-5-6-12(10-16)15(18)19/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,18,19)/t11?,12-/m1/s1
InChIKeyLFPDLHVGXNEXSN-PIJUOVFKSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 51518733
(3S)-1-[2-(3-tert-butylphenoxy)propanoyl]piperidine-3-carboxylic acid
CID 119174186
(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
CID 669843
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 124726818
1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63032662
1-[2-(2-butan-2-ylphenoxy)propanoyl]piperidine-3-carboxylic acid
CID 54794320
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 66262018
1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid
CID 122002158
1-[3-(4-methoxyphenyl)azepan-1-yl]-2-phenoxypropan-1-one
CID 121146998
(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide
CID 94164900
1-[(2R)-2-(4-iodoquinolin-7-yl)oxypropanoyl]piperidine-3-carboxylic acid
CID 155127729
(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-phenoxypropan-1-one
CID 42561059

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid (CID 81119430) is (3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid is CC(Oc1ccccc1)C(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid?
The InChIKey is LFPDLHVGXNEXSN-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11(20-13-7-3-2-4-8-13)14(17)16-9-5-6-12(10-16)15(18)19/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,18,19)/t11?,12-/m1/s1.
What are the key properties of (3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid?
(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81119430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).