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

C16H17F2NO4 — CID 119251379

IUPAC1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(C1CC1c1cccc(F)c1F)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C16H17F2NO4/c17-12-3-1-2-9(13(12)18)10-8-11(10)14(20)19-6-4-16(23,5-7-19)15(21)22/h1-3,10-11,23H,4-8H2,(H,21,22)
InChIKeyWGRUMVFIKQVQEQ-UHFFFAOYSA-N
MW325.31 g/mol
LogP1.51
Rot. Bonds3

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

1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251379) has the molecular formula C16H17F2NO4 and a molecular weight of 325.31 g/mol. Its IUPAC name is 1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251379
Molecular FormulaC16H17F2NO4
Molecular Weight325.31 g/mol
Exact Mass325.11
IUPAC Name1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(C1CC1c1cccc(F)c1F)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C16H17F2NO4/c17-12-3-1-2-9(13(12)18)10-8-11(10)14(20)19-6-4-16(23,5-7-19)15(21)22/h1-3,10-11,23H,4-8H2,(H,21,22)
InChIKeyWGRUMVFIKQVQEQ-UHFFFAOYSA-N
XLogP1.51
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256820
6-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175019
4-hydroxy-1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119251554
[2-(2,3-difluorophenyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
CID 111459530
4-hydroxy-1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119250918
1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119354031
[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124590610
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(2,3-difluorophenyl)cyclopropyl]methanone
CID 119664731
1-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 119176592
1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251874
[2-(2,3-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119542477
1-[2-(2,3-difluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 120528129

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid (CID 119251379) is 1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid is O=C(C1CC1c1cccc(F)c1F)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is WGRUMVFIKQVQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO4/c17-12-3-1-2-9(13(12)18)10-8-11(10)14(20)19-6-4-16(23,5-7-19)15(21)22/h1-3,10-11,23H,4-8H2,(H,21,22).
What are the key properties of 1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid?
1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 325.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).