1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid

C16H17F2NO3 — CID 119175952

IUPAC1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)C1CC1c1c(F)cccc1F
InChIInChI=1S/C16H17F2NO3/c17-11-4-3-5-12(18)14(11)9-8-10(9)15(20)19-7-2-1-6-13(19)16(21)22/h3-5,9-10,13H,1-2,6-8H2,(H,21,22)
InChIKeyPZIGRBNKOLQFBA-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.53
Rot. Bonds3

About 1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid

1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid (PubChem CID 119175952) has the molecular formula C16H17F2NO3 and a molecular weight of 309.31 g/mol. Its IUPAC name is 1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
PubChem CID119175952
Molecular FormulaC16H17F2NO3
Molecular Weight309.31 g/mol
Exact Mass309.12
IUPAC Name1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)C1CC1c1c(F)cccc1F
InChIInChI=1S/C16H17F2NO3/c17-11-4-3-5-12(18)14(11)9-8-10(9)15(20)19-7-2-1-6-13(19)16(21)22/h3-5,9-10,13H,1-2,6-8H2,(H,21,22)
InChIKeyPZIGRBNKOLQFBA-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119370659
(2S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 125119691
1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 91647027
(2R)-1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 124572542
(2R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 124577107
1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 119169141
1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119356871
(2S)-1-[(1S,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 129435444
(2R)-1-[(1S,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 99849301
(2R)-1-[2-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119370609
1-[2-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119355577
1-[2-(2,3-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119356326

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid (CID 119175952) is 1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)C1CC1c1c(F)cccc1F.
What is the InChIKey of 1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid?
The InChIKey is PZIGRBNKOLQFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3/c17-11-4-3-5-12(18)14(11)9-8-10(9)15(20)19-7-2-1-6-13(19)16(21)22/h3-5,9-10,13H,1-2,6-8H2,(H,21,22).
What are the key properties of 1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid?
1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid has a molecular weight of 309.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119175952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).