1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid

C14H15F2NO3 — CID 119176055

IUPAC1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C14H15F2NO3/c15-10-4-5-11(16)9(7-10)8-13(18)17-6-2-1-3-12(17)14(19)20/h4-5,7,12H,1-3,6,8H2,(H,19,20)
InChIKeyFDZXAORKSQMACT-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.97
Rot. Bonds3

About 1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid

1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid (PubChem CID 119176055) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is 1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid
PubChem CID119176055
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C14H15F2NO3/c15-10-4-5-11(16)9(7-10)8-13(18)17-6-2-1-3-12(17)14(19)20/h4-5,7,12H,1-3,6,8H2,(H,19,20)
InChIKeyFDZXAORKSQMACT-UHFFFAOYSA-N
XLogP1.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[2-(2,5-difluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 96667389
1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 3500116
(2R)-1-[3-(2-bromo-5-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 120537338
1-[(2,5-difluorophenyl)methyl]azepane-2-carboxylic acid
CID 64563952
1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 16796004
1-[2-(2,4-dichlorophenyl)acetyl]azepane-2-carboxylic acid
CID 64558807
1-[2-(2,4-difluorophenoxy)acetyl]piperidine-2-carboxylic acid
CID 43355976
1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-2-(2,5-difluorophenyl)ethanone
CID 124702269
(2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79035338
(3S)-1-[2-(2,5-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 98024202
(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79034352
1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 43241961

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid (CID 119176055) is 1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)Cc1cc(F)ccc1F.
What is the InChIKey of 1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is FDZXAORKSQMACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c15-10-4-5-11(16)9(7-10)8-13(18)17-6-2-1-3-12(17)14(19)20/h4-5,7,12H,1-3,6,8H2,(H,19,20).
What are the key properties of 1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid?
1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 283.27 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119176055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).