1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid

C16H25FN2O4 — CID 119259056

IUPAC1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)N2CCC(F)(C(=O)O)C2)C1
InChIInChI=1S/C16H25FN2O4/c1-15(2,3)13(21)18-7-4-5-11(9-18)12(20)19-8-6-16(17,10-19)14(22)23/h11H,4-10H2,1-3H3,(H,22,23)
InChIKeyBRBVHEBTLFOEFM-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.30
Rot. Bonds2

About 1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid

1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 119259056) has the molecular formula C16H25FN2O4 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID119259056
Molecular FormulaC16H25FN2O4
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)N2CCC(F)(C(=O)O)C2)C1
InChIInChI=1S/C16H25FN2O4/c1-15(2,3)13(21)18-7-4-5-11(9-18)12(20)19-8-6-16(17,10-19)14(22)23/h11H,4-10H2,1-3H3,(H,22,23)
InChIKeyBRBVHEBTLFOEFM-UHFFFAOYSA-N
XLogP1.30
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid (CID 119259056) is 1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid is CC(C)(C)C(=O)N1CCCC(C(=O)N2CCC(F)(C(=O)O)C2)C1.
What is the InChIKey of 1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is BRBVHEBTLFOEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O4/c1-15(2,3)13(21)18-7-4-5-11(9-18)12(20)19-8-6-16(17,10-19)14(22)23/h11H,4-10H2,1-3H3,(H,22,23).
What are the key properties of 1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid?
1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 328.38 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119259056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).