1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid

C16H17F2NO3 — CID 91647027

IUPAC1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)C1CC1c1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2NO3/c17-12-5-4-9(7-13(12)18)10-8-11(10)15(20)19-6-2-1-3-14(19)16(21)22/h4-5,7,10-11,14H,1-3,6,8H2,(H,21,22)
InChIKeyNIIUFRAOAAKVMG-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.53
Rot. Bonds3

About 1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid

1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid (PubChem CID 91647027) has the molecular formula C16H17F2NO3 and a molecular weight of 309.31 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
PubChem CID91647027
Molecular FormulaC16H17F2NO3
Molecular Weight309.31 g/mol
Exact Mass309.12
IUPAC Name1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)C1CC1c1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2NO3/c17-12-5-4-9(7-13(12)18)10-8-11(10)15(20)19-6-2-1-3-14(19)16(21)22/h4-5,7,10-11,14H,1-3,6,8H2,(H,21,22)
InChIKeyNIIUFRAOAAKVMG-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

Analyze 1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 124572542
1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119356871
(2R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 124577107
(2R,3R)-1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115873
2-[(2S)-1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]acetic acid
CID 124868689
(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-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 119175952
(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
(2S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 125119691
[2-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride
CID 119436871

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid (CID 91647027) is 1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)C1CC1c1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid?
The InChIKey is NIIUFRAOAAKVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3/c17-12-5-4-9(7-13(12)18)10-8-11(10)15(20)19-6-2-1-3-14(19)16(21)22/h4-5,7,10-11,14H,1-3,6,8H2,(H,21,22).
What are the key properties of 1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid?
1-[2-(3,4-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-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 91647027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).