4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide

C11H19F2N3O — CID 123210653

IUPAC4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
SMILESCN1CCC(N2CC(F)(F)CC2C(N)=O)CC1
InChIInChI=1S/C11H19F2N3O/c1-15-4-2-8(3-5-15)16-7-11(12,13)6-9(16)10(14)17/h8-9H,2-7H2,1H3,(H2,14,17)
InChIKeyUFRHWLHKIJYJDK-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.28
Rot. Bonds2

About 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide

4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 123210653) has the molecular formula C11H19F2N3O and a molecular weight of 247.29 g/mol. Its IUPAC name is 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID123210653
Molecular FormulaC11H19F2N3O
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
SMILESCN1CCC(N2CC(F)(F)CC2C(N)=O)CC1
InChIInChI=1S/C11H19F2N3O/c1-15-4-2-8(3-5-15)16-7-11(12,13)6-9(16)10(14)17/h8-9H,2-7H2,1H3,(H2,14,17)
InChIKeyUFRHWLHKIJYJDK-UHFFFAOYSA-N
XLogP0.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Methylpyrrolidine-2-carbonyl)piperazine
CID 19704824
1-Methyl-4-(pyrrolidine-2-carbonyl)piperazine
CID 14084856
1-(Piperidin-4-yl)pyrrolidine-2-carboxamide dihydrochloride
CID 47002628
2,2,2-trifluoro-1-[(2R)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 91520575
N-cyclopropyl-1-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrrolidine-2-carboxamide
CID 128159632
N-(4,4-difluorocyclohexyl)-1-propylpyrrolidine-2-carboxamide
CID 11572624
(2R)-N-(4,4-difluorocyclohexyl)-1-propylpyrrolidine-2-carboxamide
CID 11623218
(2S)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 13018945
(4-Fluoropiperidin-1-yl)-pyrrolidin-2-ylmethanone
CID 18179755
1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 21365735
(2S)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 53694262
(2S)-N-(1,3-difluoropropan-2-yl)-1-methylpyrrolidine-2-carboxamide
CID 54422523

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide (CID 123210653) is 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide is CN1CCC(N2CC(F)(F)CC2C(N)=O)CC1.
What is the InChIKey of 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is UFRHWLHKIJYJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3O/c1-15-4-2-8(3-5-15)16-7-11(12,13)6-9(16)10(14)17/h8-9H,2-7H2,1H3,(H2,14,17).
What are the key properties of 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide?
4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 247.29 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 123210653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).