2-[1-(2-amino-5-fluorobenzoyl)piperidin-4-yl]acetic acid

C14H17FN2O3 — CID 79614807

IUPAC2-[1-(2-amino-5-fluorobenzoyl)piperidin-4-yl]acetic acid
SMILESNc1ccc(F)cc1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H17FN2O3/c15-10-1-2-12(16)11(8-10)14(20)17-5-3-9(4-6-17)7-13(18)19/h1-2,8-9H,3-7,16H2,(H,18,19)
InChIKeyJZTBNIWKYCPWDC-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.73
Rot. Bonds3

About 2-[1-(2-amino-5-fluorobenzoyl)piperidin-4-yl]acetic acid

2-[1-(2-amino-5-fluorobenzoyl)piperidin-4-yl]acetic acid (PubChem CID 79614807) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[1-(2-amino-5-fluorobenzoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-amino-5-fluorobenzoyl)piperidin-4-yl]acetic acid
PubChem CID79614807
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-[1-(2-amino-5-fluorobenzoyl)piperidin-4-yl]acetic acid
SMILESNc1ccc(F)cc1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H17FN2O3/c15-10-1-2-12(16)11(8-10)14(20)17-5-3-9(4-6-17)7-13(18)19/h1-2,8-9H,3-7,16H2,(H,18,19)
InChIKeyJZTBNIWKYCPWDC-UHFFFAOYSA-N
XLogP1.73
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-fluorophenyl)-(4-propylpiperidin-1-yl)methanone
CID 62198513
2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 107013711
(2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61042349
2-[1-(2-chloro-4,5-difluorobenzoyl)piperidin-4-yl]acetic acid
CID 78979755
2-[1-(2,5-dibromobenzoyl)piperidin-4-yl]acetic acid
CID 114368157
3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 115298494
(2-amino-5-fluorophenyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 54905879
2-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 114037536
2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid
CID 103628835
2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid
CID 78980399
(2-amino-5-fluorophenyl)-(1,4-diazepan-1-yl)methanone
CID 43535352
[3-(bromomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone
CID 80667046

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-5-fluorobenzoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-amino-5-fluorobenzoyl)piperidin-4-yl]acetic acid (CID 79614807) is 2-[1-(2-amino-5-fluorobenzoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-amino-5-fluorobenzoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-amino-5-fluorobenzoyl)piperidin-4-yl]acetic acid is Nc1ccc(F)cc1C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(2-amino-5-fluorobenzoyl)piperidin-4-yl]acetic acid?
The InChIKey is JZTBNIWKYCPWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-10-1-2-12(16)11(8-10)14(20)17-5-3-9(4-6-17)7-13(18)19/h1-2,8-9H,3-7,16H2,(H,18,19).
What are the key properties of 2-[1-(2-amino-5-fluorobenzoyl)piperidin-4-yl]acetic acid?
2-[1-(2-amino-5-fluorobenzoyl)piperidin-4-yl]acetic acid has a molecular weight of 280.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-5-fluorobenzoyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79614807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).