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

C15H18FNO3 — CID 43241961

IUPAC1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C15H18FNO3/c16-12-7-4-11(5-8-12)6-9-14(18)17-10-2-1-3-13(17)15(19)20/h4-5,7-8,13H,1-3,6,9-10H2,(H,19,20)
InChIKeyHEIWTPUJDISUSL-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.22
Rot. Bonds4

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

1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid (PubChem CID 43241961) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
PubChem CID43241961
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C15H18FNO3/c16-12-7-4-11(5-8-12)6-9-14(18)17-10-2-1-3-13(17)15(19)20/h4-5,7-8,13H,1-3,6,9-10H2,(H,19,20)
InChIKeyHEIWTPUJDISUSL-UHFFFAOYSA-N
XLogP2.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 110835597
(2S)-1-[3-(4-ethylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 61136304
1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 16796004
2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid
CID 61010514
1-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylic acid
CID 119355979
(2R)-1-[3-(2-bromo-5-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 120537338
(2S)-1-[3-(2,6-difluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 99623401
(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
CID 15080754
3-(4-fluorophenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 60743171
(2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 75518225
1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid
CID 119176003
1-(2-cyclopropylpyrrolidin-1-yl)-3-(4-fluorophenyl)propan-1-one
CID 136523441

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid (CID 43241961) is 1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)CCc1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid?
The InChIKey is HEIWTPUJDISUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c16-12-7-4-11(5-8-12)6-9-14(18)17-10-2-1-3-13(17)15(19)20/h4-5,7-8,13H,1-3,6,9-10H2,(H,19,20).
What are the key properties of 1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid?
1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43241961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).