2-[1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid

C17H19F2NO3 — CID 119178221

IUPAC2-[1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2CC2c2c(F)cccc2F)CC1
InChIInChI=1S/C17H19F2NO3/c18-13-2-1-3-14(19)16(13)11-9-12(11)17(23)20-6-4-10(5-7-20)8-15(21)22/h1-3,10-12H,4-9H2,(H,21,22)
InChIKeyQADWGCMNABADNU-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.78
Rot. Bonds4

About 2-[1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid

2-[1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid (PubChem CID 119178221) has the molecular formula C17H19F2NO3 and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-[1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid
PubChem CID119178221
Molecular FormulaC17H19F2NO3
Molecular Weight323.34 g/mol
Exact Mass323.13
IUPAC Name2-[1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2CC2c2c(F)cccc2F)CC1
InChIInChI=1S/C17H19F2NO3/c18-13-2-1-3-14(19)16(13)11-9-12(11)17(23)20-6-4-10(5-7-20)8-15(21)22/h1-3,10-12H,4-9H2,(H,21,22)
InChIKeyQADWGCMNABADNU-UHFFFAOYSA-N
XLogP2.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid
CID 81368111
[2-(2,6-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119539938
[(1S,2S)-2-(2,6-difluorophenyl)cyclopropyl]-[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 58635319
[2-(2-chloro-6-fluorophenyl)cyclopropyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546451
[2-(2,6-difluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone
CID 111421550
N-[[1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]-2-fluoropyridine-4-carboxamide
CID 58933843
2-[1-(2,6-difluorobenzoyl)azepan-4-yl]acetic acid
CID 120950031
2-[1-(2-bromo-6-fluorobenzoyl)piperidin-4-yl]acetic acid
CID 115909676
trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid
CID 93299333
(2R)-1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119370659
(3S)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695295
1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 119175952

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid (CID 119178221) is 2-[1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)C2CC2c2c(F)cccc2F)CC1.
What is the InChIKey of 2-[1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid?
The InChIKey is QADWGCMNABADNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO3/c18-13-2-1-3-14(19)16(13)11-9-12(11)17(23)20-6-4-10(5-7-20)8-15(21)22/h1-3,10-12H,4-9H2,(H,21,22).
What are the key properties of 2-[1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid?
2-[1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid has a molecular weight of 323.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).