2-[(2R)-1-[4-[(2-fluorophenyl)methoxy]benzoyl]piperidin-2-yl]acetic acid

C21H22FNO4 — CID 125176472

IUPAC2-[(2R)-1-[4-[(2-fluorophenyl)methoxy]benzoyl]piperidin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCCN1C(=O)c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C21H22FNO4/c22-19-7-2-1-5-16(19)14-27-18-10-8-15(9-11-18)21(26)23-12-4-3-6-17(23)13-20(24)25/h1-2,5,7-11,17H,3-4,6,12-14H2,(H,24,25)/t17-/m1/s1
InChIKeyNKBNNKSUOMDPGB-QGZVFWFLSA-N
MW371.41 g/mol
LogP3.87
Rot. Bonds6

About 2-[(2R)-1-[4-[(2-fluorophenyl)methoxy]benzoyl]piperidin-2-yl]acetic acid

2-[(2R)-1-[4-[(2-fluorophenyl)methoxy]benzoyl]piperidin-2-yl]acetic acid (PubChem CID 125176472) has the molecular formula C21H22FNO4 and a molecular weight of 371.41 g/mol. Its IUPAC name is 2-[(2R)-1-[4-[(2-fluorophenyl)methoxy]benzoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-1-[4-[(2-fluorophenyl)methoxy]benzoyl]piperidin-2-yl]acetic acid
PubChem CID125176472
Molecular FormulaC21H22FNO4
Molecular Weight371.41 g/mol
Exact Mass371.15
IUPAC Name2-[(2R)-1-[4-[(2-fluorophenyl)methoxy]benzoyl]piperidin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCCN1C(=O)c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C21H22FNO4/c22-19-7-2-1-5-16(19)14-27-18-10-8-15(9-11-18)21(26)23-12-4-3-6-17(23)13-20(24)25/h1-2,5,7-11,17H,3-4,6,12-14H2,(H,24,25)/t17-/m1/s1
InChIKeyNKBNNKSUOMDPGB-QGZVFWFLSA-N
XLogP3.87
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-bromobenzoyl)piperidin-2-yl]acetic acid
CID 54899712
(2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone
CID 55334521
2-[(2S)-1-(4-methylsulfanylbenzoyl)piperidin-2-yl]acetic acid
CID 93437286
2-[1-(3-fluorobenzoyl)piperidin-2-yl]acetic acid
CID 54899661
2-[1-(3,4-difluorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370456
2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetic acid
CID 61009964
2-[1-(2-bromo-6-fluorobenzoyl)piperidin-2-yl]acetic acid
CID 114558491
[4-(2-phenoxyethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11960131
2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-2-yl]acetic acid
CID 103628823
[2-(aminomethyl)pyrrolidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119632417
2-[4-(4-phenylmethoxybenzoyl)thiomorpholin-3-yl]acetic acid
CID 119210082
[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[4-[(2-fluorophenyl)methoxy]phenyl]methanone
CID 72851095

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[4-[(2-fluorophenyl)methoxy]benzoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-1-[4-[(2-fluorophenyl)methoxy]benzoyl]piperidin-2-yl]acetic acid (CID 125176472) is 2-[(2R)-1-[4-[(2-fluorophenyl)methoxy]benzoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-1-[4-[(2-fluorophenyl)methoxy]benzoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-1-[4-[(2-fluorophenyl)methoxy]benzoyl]piperidin-2-yl]acetic acid is O=C(O)C[C@H]1CCCCN1C(=O)c1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of 2-[(2R)-1-[4-[(2-fluorophenyl)methoxy]benzoyl]piperidin-2-yl]acetic acid?
The InChIKey is NKBNNKSUOMDPGB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22FNO4/c22-19-7-2-1-5-16(19)14-27-18-10-8-15(9-11-18)21(26)23-12-4-3-6-17(23)13-20(24)25/h1-2,5,7-11,17H,3-4,6,12-14H2,(H,24,25)/t17-/m1/s1.
What are the key properties of 2-[(2R)-1-[4-[(2-fluorophenyl)methoxy]benzoyl]piperidin-2-yl]acetic acid?
2-[(2R)-1-[4-[(2-fluorophenyl)methoxy]benzoyl]piperidin-2-yl]acetic acid has a molecular weight of 371.41 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[4-[(2-fluorophenyl)methoxy]benzoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 125176472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).