3-fluoro-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid

C16H26FN3O4 — CID 119258375

IUPAC3-fluoro-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CNC(=O)N1CCCC(C(=O)N2CCC(F)(C(=O)O)C2)C1
InChIInChI=1S/C16H26FN3O4/c1-11(2)8-18-15(24)19-6-3-4-12(9-19)13(21)20-7-5-16(17,10-20)14(22)23/h11-12H,3-10H2,1-2H3,(H,18,24)(H,22,23)
InChIKeyFKXSVIRIYQCYOQ-UHFFFAOYSA-N
MW343.40 g/mol
LogP1.09
Rot. Bonds4

About 3-fluoro-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid

3-fluoro-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 119258375) has the molecular formula C16H26FN3O4 and a molecular weight of 343.40 g/mol. Its IUPAC name is 3-fluoro-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID119258375
Molecular FormulaC16H26FN3O4
Molecular Weight343.40 g/mol
Exact Mass343.19
IUPAC Name3-fluoro-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CNC(=O)N1CCCC(C(=O)N2CCC(F)(C(=O)O)C2)C1
InChIInChI=1S/C16H26FN3O4/c1-11(2)8-18-15(24)19-6-3-4-12(9-19)13(21)20-7-5-16(17,10-20)14(22)23/h11-12H,3-10H2,1-2H3,(H,18,24)(H,22,23)
InChIKeyFKXSVIRIYQCYOQ-UHFFFAOYSA-N
XLogP1.09
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(3S)-1-butanoylpiperidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 129467783
1-(3-Methylpiperidine-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710512
1-(Piperidine-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710859
1-[(3S)-piperidine-3-carbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 81141489
1-[(3R)-piperidine-3-carbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 81141651
3-Fluoro-1-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 119258388
1-[1-(2,2-Dimethylpropanoyl)piperidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119259056
1-[1-(Dimethylcarbamoyl)piperidine-4-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119259213
3-Fluoro-1-[1-(2-methylbutanoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119259457
3-Fluoro-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119259637
1-(1-Butanoylpiperidine-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259645
(3S,4S)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950182

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid (CID 119258375) is 3-fluoro-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid is CC(C)CNC(=O)N1CCCC(C(=O)N2CCC(F)(C(=O)O)C2)C1.
What is the InChIKey of 3-fluoro-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is FKXSVIRIYQCYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O4/c1-11(2)8-18-15(24)19-6-3-4-12(9-19)13(21)20-7-5-16(17,10-20)14(22)23/h11-12H,3-10H2,1-2H3,(H,18,24)(H,22,23).
What are the key properties of 3-fluoro-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
3-fluoro-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 343.40 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).