1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid

C16H20FNO3 — CID 124688108

IUPAC1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
SMILESC[C@@H](CC(=O)N1CCC(C(=O)O)CC1)c1ccccc1F
InChIInChI=1S/C16H20FNO3/c1-11(13-4-2-3-5-14(13)17)10-15(19)18-8-6-12(7-9-18)16(20)21/h2-5,11-12H,6-10H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyGIQPOTJHSALXSF-NSHDSACASA-N
MW293.34 g/mol
LogP2.64
Rot. Bonds4

About 1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid

1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid (PubChem CID 124688108) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
PubChem CID124688108
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
SMILESC[C@@H](CC(=O)N1CCC(C(=O)O)CC1)c1ccccc1F
InChIInChI=1S/C16H20FNO3/c1-11(13-4-2-3-5-14(13)17)10-15(19)18-8-6-12(7-9-18)16(20)21/h2-5,11-12H,6-10H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyGIQPOTJHSALXSF-NSHDSACASA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
CID 119166742
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-fluorophenyl)butan-1-one;hydrochloride
CID 119520970
6-[3-(2-fluorophenyl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175510
(3R)-3-(2-fluorophenyl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]butan-1-one
CID 95348820
(2S)-1-[(3R)-3-(2-fluorophenyl)butanoyl]piperidine-2-carboxylic acid
CID 99639914
(3R)-3-(2-fluorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]butan-1-one
CID 124733179
3-(2-fluorophenyl)-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119403904
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-(2-fluorophenyl)butan-1-one;hydrochloride
CID 119664692
(3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 124694280
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(2-fluorophenyl)butan-1-one;hydrochloride
CID 120658547
2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid
CID 124692942
ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 45234120

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid (CID 124688108) is 1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid is C[C@@H](CC(=O)N1CCC(C(=O)O)CC1)c1ccccc1F.
What is the InChIKey of 1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid?
The InChIKey is GIQPOTJHSALXSF-NSHDSACASA-N. The full InChI is InChI=1S/C16H20FNO3/c1-11(13-4-2-3-5-14(13)17)10-15(19)18-8-6-12(7-9-18)16(20)21/h2-5,11-12H,6-10H2,1H3,(H,20,21)/t11-/m0/s1.
What are the key properties of 1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid?
1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 124688108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).