1-[(3R)-3-(3-fluorophenyl)-3-hydroxypropanoyl]piperidine-4-carboxylic acid

C15H18FNO4 — CID 124703729

IUPAC1-[(3R)-3-(3-fluorophenyl)-3-hydroxypropanoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C[C@@H](O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H18FNO4/c16-12-3-1-2-11(8-12)13(18)9-14(19)17-6-4-10(5-7-17)15(20)21/h1-3,8,10,13,18H,4-7,9H2,(H,20,21)/t13-/m1/s1
InChIKeyCGAOCSUQGKAUSI-CYBMUJFWSA-N
MW295.31 g/mol
LogP1.57
Rot. Bonds4

About 1-[(3R)-3-(3-fluorophenyl)-3-hydroxypropanoyl]piperidine-4-carboxylic acid

1-[(3R)-3-(3-fluorophenyl)-3-hydroxypropanoyl]piperidine-4-carboxylic acid (PubChem CID 124703729) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-[(3R)-3-(3-fluorophenyl)-3-hydroxypropanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3R)-3-(3-fluorophenyl)-3-hydroxypropanoyl]piperidine-4-carboxylic acid
PubChem CID124703729
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name1-[(3R)-3-(3-fluorophenyl)-3-hydroxypropanoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C[C@@H](O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H18FNO4/c16-12-3-1-2-11(8-12)13(18)9-14(19)17-6-4-10(5-7-17)15(20)21/h1-3,8,10,13,18H,4-7,9H2,(H,20,21)/t13-/m1/s1
InChIKeyCGAOCSUQGKAUSI-CYBMUJFWSA-N
XLogP1.57
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 3912751
(3S)-3-(3-fluorophenyl)-3-hydroxy-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 125136005
(3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 99634256
(2S,3aS,7aS)-1-[(3S)-3-(3-fluorophenyl)-3-hydroxypropanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125137065
(3S)-1-[(3S)-3-(3-fluorophenyl)-3-hydroxypropanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 129468398
1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid
CID 122006228
1-(cyclobutanecarbonyl)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide
CID 97206238
3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 143845941
1-[3-(3-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid
CID 74868259
(3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677617
1-[2-(2-bromo-5-fluoroanilino)acetyl]piperidine-4-carboxylic acid
CID 107636652
1-[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 4006339

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(3-fluorophenyl)-3-hydroxypropanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3R)-3-(3-fluorophenyl)-3-hydroxypropanoyl]piperidine-4-carboxylic acid (CID 124703729) is 1-[(3R)-3-(3-fluorophenyl)-3-hydroxypropanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3R)-3-(3-fluorophenyl)-3-hydroxypropanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3R)-3-(3-fluorophenyl)-3-hydroxypropanoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)C[C@@H](O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-[(3R)-3-(3-fluorophenyl)-3-hydroxypropanoyl]piperidine-4-carboxylic acid?
The InChIKey is CGAOCSUQGKAUSI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18FNO4/c16-12-3-1-2-11(8-12)13(18)9-14(19)17-6-4-10(5-7-17)15(20)21/h1-3,8,10,13,18H,4-7,9H2,(H,20,21)/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-(3-fluorophenyl)-3-hydroxypropanoyl]piperidine-4-carboxylic acid?
1-[(3R)-3-(3-fluorophenyl)-3-hydroxypropanoyl]piperidine-4-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(3-fluorophenyl)-3-hydroxypropanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 124703729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).