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

C15H18FNO3 — CID 124576767

IUPAC(3S)-1-[(2R)-2-(3-fluorophenyl)propanoyl]piperidine-3-carboxylic acid
SMILESC[C@@H](C(=O)N1CCC[C@H](C(=O)O)C1)c1cccc(F)c1
InChIInChI=1S/C15H18FNO3/c1-10(11-4-2-6-13(16)8-11)14(18)17-7-3-5-12(9-17)15(19)20/h2,4,6,8,10,12H,3,5,7,9H2,1H3,(H,19,20)/t10-,12+/m1/s1
InChIKeyPMQIHXRTCQEOIO-PWSUYJOCSA-N
MW279.31 g/mol
LogP2.25
Rot. Bonds3

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

(3S)-1-[(2R)-2-(3-fluorophenyl)propanoyl]piperidine-3-carboxylic acid (PubChem CID 124576767) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is (3S)-1-[(2R)-2-(3-fluorophenyl)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(2R)-2-(3-fluorophenyl)propanoyl]piperidine-3-carboxylic acid
PubChem CID124576767
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name(3S)-1-[(2R)-2-(3-fluorophenyl)propanoyl]piperidine-3-carboxylic acid
SMILESC[C@@H](C(=O)N1CCC[C@H](C(=O)O)C1)c1cccc(F)c1
InChIInChI=1S/C15H18FNO3/c1-10(11-4-2-6-13(16)8-11)14(18)17-7-3-5-12(9-17)15(19)20/h2,4,6,8,10,12H,3,5,7,9H2,1H3,(H,19,20)/t10-,12+/m1/s1
InChIKeyPMQIHXRTCQEOIO-PWSUYJOCSA-N
XLogP2.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561844
(3S)-1-[2-(4-bromophenyl)propanoyl]piperidine-3-carboxylic acid
CID 120514149
(3S,4S)-1-[2-(3-fluorophenyl)propanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953267
(3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677617
2-(3-fluorophenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119538803
(3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576625
1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid
CID 62877152
(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid
CID 81119213
1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid
CID 130649320
1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122008448
(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 120684525
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(3-fluorophenyl)propan-1-one
CID 119631261

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-2-(3-fluorophenyl)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(2R)-2-(3-fluorophenyl)propanoyl]piperidine-3-carboxylic acid (CID 124576767) is (3S)-1-[(2R)-2-(3-fluorophenyl)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(2R)-2-(3-fluorophenyl)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(2R)-2-(3-fluorophenyl)propanoyl]piperidine-3-carboxylic acid is C[C@@H](C(=O)N1CCC[C@H](C(=O)O)C1)c1cccc(F)c1.
What is the InChIKey of (3S)-1-[(2R)-2-(3-fluorophenyl)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is PMQIHXRTCQEOIO-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-10(11-4-2-6-13(16)8-11)14(18)17-7-3-5-12(9-17)15(19)20/h2,4,6,8,10,12H,3,5,7,9H2,1H3,(H,19,20)/t10-,12+/m1/s1.
What are the key properties of (3S)-1-[(2R)-2-(3-fluorophenyl)propanoyl]piperidine-3-carboxylic acid?
(3S)-1-[(2R)-2-(3-fluorophenyl)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-2-(3-fluorophenyl)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 124576767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).