2-[1-(3-fluorobenzoyl)piperidin-2-yl]acetic acid

C14H16FNO3 — CID 54899661

IUPAC2-[1-(3-fluorobenzoyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C14H16FNO3/c15-11-5-3-4-10(8-11)14(19)16-7-2-1-6-12(16)9-13(17)18/h3-5,8,12H,1-2,6-7,9H2,(H,17,18)
InChIKeyHRJUFXGEPDOAJT-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.30
Rot. Bonds3

About 2-[1-(3-fluorobenzoyl)piperidin-2-yl]acetic acid

2-[1-(3-fluorobenzoyl)piperidin-2-yl]acetic acid (PubChem CID 54899661) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-[1-(3-fluorobenzoyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-fluorobenzoyl)piperidin-2-yl]acetic acid
PubChem CID54899661
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2-[1-(3-fluorobenzoyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C14H16FNO3/c15-11-5-3-4-10(8-11)14(19)16-7-2-1-6-12(16)9-13(17)18/h3-5,8,12H,1-2,6-7,9H2,(H,17,18)
InChIKeyHRJUFXGEPDOAJT-UHFFFAOYSA-N
XLogP2.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-carbamoylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61372262
2-[1-(3,4-difluorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370456
2-[1-(2-bromo-6-fluorobenzoyl)piperidin-2-yl]acetic acid
CID 114558491
2-[1-(3-nitrobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370259
2-[(2S)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidin-2-yl]acetic acid
CID 126437661
2-[1-(4-bromobenzoyl)piperidin-2-yl]acetic acid
CID 54899712
2-[(2S)-1-(4-methylsulfanylbenzoyl)piperidin-2-yl]acetic acid
CID 93437286
2-[1-(3-bromo-4-methylbenzoyl)piperidin-2-yl]acetic acid
CID 81470540
2-[1-(pyridazine-4-carbonyl)piperidin-2-yl]acetic acid
CID 112640151
3-[2-(hydroxymethyl)azepane-1-carbonyl]benzoic acid
CID 116635788
1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 79549536
2-[1-(2,3-dihydro-1H-indene-5-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61371055

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorobenzoyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(3-fluorobenzoyl)piperidin-2-yl]acetic acid (CID 54899661) is 2-[1-(3-fluorobenzoyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-fluorobenzoyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(3-fluorobenzoyl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)c1cccc(F)c1.
What is the InChIKey of 2-[1-(3-fluorobenzoyl)piperidin-2-yl]acetic acid?
The InChIKey is HRJUFXGEPDOAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-11-5-3-4-10(8-11)14(19)16-7-2-1-6-12(16)9-13(17)18/h3-5,8,12H,1-2,6-7,9H2,(H,17,18).
What are the key properties of 2-[1-(3-fluorobenzoyl)piperidin-2-yl]acetic acid?
2-[1-(3-fluorobenzoyl)piperidin-2-yl]acetic acid has a molecular weight of 265.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorobenzoyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 54899661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).