(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid

C15H18FNO4 — CID 51518733

IUPAC(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H18FNO4/c1-10(21-13-6-4-12(16)5-7-13)14(18)17-8-2-3-11(9-17)15(19)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20)/t10-,11+/m0/s1
InChIKeyHIVHIINFTCJHBW-WDEREUQCSA-N
MW295.31 g/mol
LogP1.92
Rot. Bonds4

About (3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid

(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid (PubChem CID 51518733) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is (3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
PubChem CID51518733
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H18FNO4/c1-10(21-13-6-4-12(16)5-7-13)14(18)17-8-2-3-11(9-17)15(19)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20)/t10-,11+/m0/s1
InChIKeyHIVHIINFTCJHBW-WDEREUQCSA-N
XLogP1.92
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide
CID 94164900
(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid
CID 81119430
1-[2-(2-chloro-4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 119167761
1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63032662
(3S)-1-[2-(3-tert-butylphenoxy)propanoyl]piperidine-3-carboxylic acid
CID 119174186
(3S)-1-[(2R)-2-[1-chloro-4-(2-chloro-4-fluorophenyl)isoquinolin-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
CID 167498321
(3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid
CID 125147539
(3S)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)-2-oxochromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
CID 138490769
(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenoxy)propan-1-one
CID 42561053
1-[(2R)-2-(4-iodoquinolin-7-yl)oxypropanoyl]piperidine-3-carboxylic acid
CID 155127729
1-[2-(2-butan-2-ylphenoxy)propanoyl]piperidine-3-carboxylic acid
CID 54794320
(3S)-1-[(2R)-2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
CID 155127770

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid (CID 51518733) is (3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid is C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is HIVHIINFTCJHBW-WDEREUQCSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-10(21-13-6-4-12(16)5-7-13)14(18)17-8-2-3-11(9-17)15(19)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20)/t10-,11+/m0/s1.
What are the key properties of (3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid?
(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 51518733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).