1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid

C14H22FN3O4 — CID 119259213

IUPAC1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESCN(C)C(=O)N1CCC(C(=O)N2CCC(F)(C(=O)O)C2)CC1
InChIInChI=1S/C14H22FN3O4/c1-16(2)13(22)17-6-3-10(4-7-17)11(19)18-8-5-14(15,9-18)12(20)21/h10H,3-9H2,1-2H3,(H,20,21)
InChIKeyJKDRRJPUPHVLTP-UHFFFAOYSA-N
MW315.35 g/mol
LogP0.41
Rot. Bonds2

About 1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid

1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 119259213) has the molecular formula C14H22FN3O4 and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID119259213
Molecular FormulaC14H22FN3O4
Molecular Weight315.35 g/mol
Exact Mass315.16
IUPAC Name1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESCN(C)C(=O)N1CCC(C(=O)N2CCC(F)(C(=O)O)C2)CC1
InChIInChI=1S/C14H22FN3O4/c1-16(2)13(22)17-6-3-10(4-7-17)11(19)18-8-5-14(15,9-18)12(20)21/h10H,3-9H2,1-2H3,(H,20,21)
InChIKeyJKDRRJPUPHVLTP-UHFFFAOYSA-N
XLogP0.41
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid (CID 119259213) is 1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid is CN(C)C(=O)N1CCC(C(=O)N2CCC(F)(C(=O)O)C2)CC1.
What is the InChIKey of 1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is JKDRRJPUPHVLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O4/c1-16(2)13(22)17-6-3-10(4-7-17)11(19)18-8-5-14(15,9-18)12(20)21/h10H,3-9H2,1-2H3,(H,20,21).
What are the key properties of 1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid?
1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119259213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).