(3R)-1-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxylic acid

C15H19FN2O3 — CID 69451512

IUPAC(3R)-1-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxylic acid
SMILESO=C(NCCN1CCC[C@@H](C(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O3/c16-13-5-3-11(4-6-13)14(19)17-7-9-18-8-1-2-12(10-18)15(20)21/h3-6,12H,1-2,7-10H2,(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyUBGPBNGVAXWJBN-GFCCVEGCSA-N
MW294.33 g/mol
LogP1.35
Rot. Bonds5

About (3R)-1-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxylic acid

(3R)-1-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxylic acid (PubChem CID 69451512) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (3R)-1-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxylic acid
PubChem CID69451512
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(3R)-1-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxylic acid
SMILESO=C(NCCN1CCC[C@@H](C(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O3/c16-13-5-3-11(4-6-13)14(19)17-7-9-18-8-1-2-12(10-18)15(20)21/h3-6,12H,1-2,7-10H2,(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyUBGPBNGVAXWJBN-GFCCVEGCSA-N
XLogP1.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxylic acid (CID 69451512) is (3R)-1-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxylic acid is O=C(NCCN1CCC[C@@H](C(=O)O)C1)c1ccc(F)cc1.
What is the InChIKey of (3R)-1-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxylic acid?
The InChIKey is UBGPBNGVAXWJBN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-13-5-3-11(4-6-13)14(19)17-7-9-18-8-1-2-12(10-18)15(20)21/h3-6,12H,1-2,7-10H2,(H,17,19)(H,20,21)/t12-/m1/s1.
What are the key properties of (3R)-1-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxylic acid?
(3R)-1-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 69451512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).