(2R)-2-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]propanoic acid

C15H18FNO3 — CID 100637681

IUPAC(2R)-2-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H18FNO3/c1-10(15(19)20)17-8-2-3-12(9-17)14(18)11-4-6-13(16)7-5-11/h4-7,10,12H,2-3,8-9H2,1H3,(H,19,20)/t10-,12+/m1/s1
InChIKeyXWRUBKYDSOQSEK-PWSUYJOCSA-N
MW279.31 g/mol
LogP2.19
Rot. Bonds4

About (2R)-2-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]propanoic acid

(2R)-2-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]propanoic acid (PubChem CID 100637681) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is (2R)-2-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]propanoic acid
PubChem CID100637681
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name(2R)-2-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H18FNO3/c1-10(15(19)20)17-8-2-3-12(9-17)14(18)11-4-6-13(16)7-5-11/h4-7,10,12H,2-3,8-9H2,1H3,(H,19,20)/t10-,12+/m1/s1
InChIKeyXWRUBKYDSOQSEK-PWSUYJOCSA-N
XLogP2.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one
CID 119332040
cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone
CID 69455656
N,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide
CID 110394813
2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone
CID 119332026
(4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone
CID 111436466
(4-fluorophenyl)-[1-(2-hydroxycyclopentanecarbonyl)piperidin-3-yl]methanone
CID 110014714
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106587711
1-[[3-(4-fluorobenzoyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 154746801
carbonic acid;cyclopropyl-(4-fluorophenyl)methanone
CID 70591136
(4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone
CID 69455638
(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid
CID 42307253
(1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone
CID 110394840

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]propanoic acid?
The IUPAC name of (2R)-2-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]propanoic acid (CID 100637681) is (2R)-2-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]propanoic acid?
The canonical SMILES for (2R)-2-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]propanoic acid is C[C@H](C(=O)O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (2R)-2-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]propanoic acid?
The InChIKey is XWRUBKYDSOQSEK-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-10(15(19)20)17-8-2-3-12(9-17)14(18)11-4-6-13(16)7-5-11/h4-7,10,12H,2-3,8-9H2,1H3,(H,19,20)/t10-,12+/m1/s1.
What are the key properties of (2R)-2-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]propanoic acid?
(2R)-2-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]propanoic acid has a molecular weight of 279.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 100637681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).