1-[1-(3,3-difluoro-1-methylcyclobutanecarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid

C16H22F2N2O4 — CID 154867042

IUPAC1-[1-(3,3-difluoro-1-methylcyclobutanecarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)N2CCC(N3CC(C(=O)O)CC3=O)CC2)CC(F)(F)C1
InChIInChI=1S/C16H22F2N2O4/c1-15(8-16(17,18)9-15)14(24)19-4-2-11(3-5-19)20-7-10(13(22)23)6-12(20)21/h10-11H,2-9H2,1H3,(H,22,23)
InChIKeyCHJXZAOWMBXCGM-UHFFFAOYSA-N
MW344.36 g/mol
LogP1.35
Rot. Bonds3

About 1-[1-(3,3-difluoro-1-methylcyclobutanecarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid

1-[1-(3,3-difluoro-1-methylcyclobutanecarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 154867042) has the molecular formula C16H22F2N2O4 and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-[1-(3,3-difluoro-1-methylcyclobutanecarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3,3-difluoro-1-methylcyclobutanecarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID154867042
Molecular FormulaC16H22F2N2O4
Molecular Weight344.36 g/mol
Exact Mass344.15
IUPAC Name1-[1-(3,3-difluoro-1-methylcyclobutanecarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)N2CCC(N3CC(C(=O)O)CC3=O)CC2)CC(F)(F)C1
InChIInChI=1S/C16H22F2N2O4/c1-15(8-16(17,18)9-15)14(24)19-4-2-11(3-5-19)20-7-10(13(22)23)6-12(20)21/h10-11H,2-9H2,1H3,(H,22,23)
InChIKeyCHJXZAOWMBXCGM-UHFFFAOYSA-N
XLogP1.35
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3-difluoro-1-methylcyclobutanecarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(3,3-difluoro-1-methylcyclobutanecarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid (CID 154867042) is 1-[1-(3,3-difluoro-1-methylcyclobutanecarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(3,3-difluoro-1-methylcyclobutanecarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(3,3-difluoro-1-methylcyclobutanecarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid is CC1(C(=O)N2CCC(N3CC(C(=O)O)CC3=O)CC2)CC(F)(F)C1.
What is the InChIKey of 1-[1-(3,3-difluoro-1-methylcyclobutanecarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is CHJXZAOWMBXCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O4/c1-15(8-16(17,18)9-15)14(24)19-4-2-11(3-5-19)20-7-10(13(22)23)6-12(20)21/h10-11H,2-9H2,1H3,(H,22,23).
What are the key properties of 1-[1-(3,3-difluoro-1-methylcyclobutanecarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid?
1-[1-(3,3-difluoro-1-methylcyclobutanecarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 344.36 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3-difluoro-1-methylcyclobutanecarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 154867042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).