2-[3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoyl]phenoxy]acetic acid

C20H19FN2O5 — CID 120551292

IUPAC2-[3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)NC2CCCN(c3ccccc3F)C2=O)c1
InChIInChI=1S/C20H19FN2O5/c21-15-7-1-2-9-17(15)23-10-4-8-16(20(23)27)22-19(26)13-5-3-6-14(11-13)28-12-18(24)25/h1-3,5-7,9,11,16H,4,8,10,12H2,(H,22,26)(H,24,25)
InChIKeyLZGYSKKTGRJWFT-UHFFFAOYSA-N
MW386.38 g/mol
LogP2.21
Rot. Bonds6

About 2-[3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoyl]phenoxy]acetic acid

2-[3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoyl]phenoxy]acetic acid (PubChem CID 120551292) has the molecular formula C20H19FN2O5 and a molecular weight of 386.38 g/mol. Its IUPAC name is 2-[3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoyl]phenoxy]acetic acid
PubChem CID120551292
Molecular FormulaC20H19FN2O5
Molecular Weight386.38 g/mol
Exact Mass386.13
IUPAC Name2-[3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)NC2CCCN(c3ccccc3F)C2=O)c1
InChIInChI=1S/C20H19FN2O5/c21-15-7-1-2-9-17(15)23-10-4-8-16(20(23)27)22-19(26)13-5-3-6-14(11-13)28-12-18(24)25/h1-3,5-7,9,11,16H,4,8,10,12H2,(H,22,26)(H,24,25)
InChIKeyLZGYSKKTGRJWFT-UHFFFAOYSA-N
XLogP2.21
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid
CID 167800809
N-[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75435103
3-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoyl]phenyl]propanoic acid
CID 154788548
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2H-benzotriazole-5-carboxamide
CID 56788494
2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid
CID 120551295
2-fluoro-N-[(3S)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-4-hydroxybenzamide
CID 99718154
3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid
CID 122008222
methyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-4-oxobutanoate
CID 124589266
2-ethoxy-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide
CID 136537798
5-bromo-N-[(3S)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-2-nitropyridine-4-carboxamide
CID 100659239
2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid
CID 120550972
2-[3-[(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)carbamoyl]phenoxy]acetic acid
CID 120552679

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoyl]phenoxy]acetic acid (CID 120551292) is 2-[3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoyl]phenoxy]acetic acid is O=C(O)COc1cccc(C(=O)NC2CCCN(c3ccccc3F)C2=O)c1.
What is the InChIKey of 2-[3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoyl]phenoxy]acetic acid?
The InChIKey is LZGYSKKTGRJWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O5/c21-15-7-1-2-9-17(15)23-10-4-8-16(20(23)27)22-19(26)13-5-3-6-14(11-13)28-12-18(24)25/h1-3,5-7,9,11,16H,4,8,10,12H2,(H,22,26)(H,24,25).
What are the key properties of 2-[3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoyl]phenoxy]acetic acid?
2-[3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoyl]phenoxy]acetic acid has a molecular weight of 386.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 120551292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).