1-(1-butanoylpiperidine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid

C15H23FN2O4 — CID 119259645

IUPAC1-(1-butanoylpiperidine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESCCCC(=O)N1CCCC(C(=O)N2CCC(F)(C(=O)O)C2)C1
InChIInChI=1S/C15H23FN2O4/c1-2-4-12(19)17-7-3-5-11(9-17)13(20)18-8-6-15(16,10-18)14(21)22/h11H,2-10H2,1H3,(H,21,22)
InChIKeyJZNPAYSPEWJNLC-UHFFFAOYSA-N
MW314.36 g/mol
LogP1.05
Rot. Bonds4

About 1-(1-butanoylpiperidine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid

1-(1-butanoylpiperidine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 119259645) has the molecular formula C15H23FN2O4 and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-(1-butanoylpiperidine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-butanoylpiperidine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID119259645
Molecular FormulaC15H23FN2O4
Molecular Weight314.36 g/mol
Exact Mass314.16
IUPAC Name1-(1-butanoylpiperidine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESCCCC(=O)N1CCCC(C(=O)N2CCC(F)(C(=O)O)C2)C1
InChIInChI=1S/C15H23FN2O4/c1-2-4-12(19)17-7-3-5-11(9-17)13(20)18-8-6-15(16,10-18)14(21)22/h11H,2-10H2,1H3,(H,21,22)
InChIKeyJZNPAYSPEWJNLC-UHFFFAOYSA-N
XLogP1.05
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butanoylpiperidine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-butanoylpiperidine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid (CID 119259645) is 1-(1-butanoylpiperidine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-butanoylpiperidine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-butanoylpiperidine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid is CCCC(=O)N1CCCC(C(=O)N2CCC(F)(C(=O)O)C2)C1.
What is the InChIKey of 1-(1-butanoylpiperidine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is JZNPAYSPEWJNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O4/c1-2-4-12(19)17-7-3-5-11(9-17)13(20)18-8-6-15(16,10-18)14(21)22/h11H,2-10H2,1H3,(H,21,22).
What are the key properties of 1-(1-butanoylpiperidine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
1-(1-butanoylpiperidine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 314.36 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butanoylpiperidine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119259645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).