1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid

C15H17FN2O4 — CID 120515000

IUPAC1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid
SMILESO=C(NCC(=O)N1CCCCC1C(=O)O)c1cccc(F)c1
InChIInChI=1S/C15H17FN2O4/c16-11-5-3-4-10(8-11)14(20)17-9-13(19)18-7-2-1-6-12(18)15(21)22/h3-5,8,12H,1-2,6-7,9H2,(H,17,20)(H,21,22)
InChIKeyIGRKSRNUVUFHEK-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.02
Rot. Bonds4

About 1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid

1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid (PubChem CID 120515000) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is 1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid
PubChem CID120515000
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid
SMILESO=C(NCC(=O)N1CCCCC1C(=O)O)c1cccc(F)c1
InChIInChI=1S/C15H17FN2O4/c16-11-5-3-4-10(8-11)14(20)17-9-13(19)18-7-2-1-6-12(18)15(21)22/h3-5,8,12H,1-2,6-7,9H2,(H,17,20)(H,21,22)
InChIKeyIGRKSRNUVUFHEK-UHFFFAOYSA-N
XLogP1.02
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 78920198
1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 72523464
N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-3-fluorobenzamide
CID 78839778
1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid
CID 43356026
3-fluoro-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 66261045
cis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678933
1-[(3-fluorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 54980760
1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid
CID 119176055
1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61195010
1-[2-[[2-[(3-fluorobenzoyl)amino]acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525585
3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454984
(2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119371080

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid (CID 120515000) is 1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid is O=C(NCC(=O)N1CCCCC1C(=O)O)c1cccc(F)c1.
What is the InChIKey of 1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid?
The InChIKey is IGRKSRNUVUFHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4/c16-11-5-3-4-10(8-11)14(20)17-9-13(19)18-7-2-1-6-12(18)15(21)22/h3-5,8,12H,1-2,6-7,9H2,(H,17,20)(H,21,22).
What are the key properties of 1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid?
1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid has a molecular weight of 308.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 120515000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).