4-(3,3-difluoropyrrolidin-1-yl)-1-methylpiperidine-4-carboxamide

C11H19F2N3O — CID 58319318

IUPAC4-(3,3-difluoropyrrolidin-1-yl)-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(N)=O)(N2CCC(F)(F)C2)CC1
InChIInChI=1S/C11H19F2N3O/c1-15-5-2-10(3-6-15,9(14)17)16-7-4-11(12,13)8-16/h2-8H2,1H3,(H2,14,17)
InChIKeyKMIIHHFOBCGZQZ-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.28
Rot. Bonds2

About 4-(3,3-difluoropyrrolidin-1-yl)-1-methylpiperidine-4-carboxamide

4-(3,3-difluoropyrrolidin-1-yl)-1-methylpiperidine-4-carboxamide (PubChem CID 58319318) has the molecular formula C11H19F2N3O and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-(3,3-difluoropyrrolidin-1-yl)-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-(3,3-difluoropyrrolidin-1-yl)-1-methylpiperidine-4-carboxamide
PubChem CID58319318
Molecular FormulaC11H19F2N3O
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name4-(3,3-difluoropyrrolidin-1-yl)-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(N)=O)(N2CCC(F)(F)C2)CC1
InChIInChI=1S/C11H19F2N3O/c1-15-5-2-10(3-6-15,9(14)17)16-7-4-11(12,13)8-16/h2-8H2,1H3,(H2,14,17)
InChIKeyKMIIHHFOBCGZQZ-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

3-[Methyl-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 53615621
4-(4,4-Difluoropiperidin-1-yl)-1-methylpiperidine-4-carboxamide
CID 57956254
4-(4-Fluoro-4-methylpiperidin-1-yl)-1-methylpiperidine-4-carboxamide
CID 57956264
1-Acetyl-4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide
CID 58307123
1-Methyl-4-(3,3,3-trifluoropropylamino)piperidine-4-carboxamide
CID 58319335
1-Methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide
CID 58367579
4-(3,3,3-Trifluoropropylamino)piperidine-4-carboxamide
CID 66697754
1-Methyl-4-(1,1,1-trifluoropropan-2-ylamino)piperidine-4-carboxamide
CID 70952117
4-(3,3-Difluoropyrrolidin-1-yl)piperidine-4-carboxamide
CID 70952129
(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 118303279
4,4-Difluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 123210653
2-(4,4-Difluoropiperidin-1-yl)-2-methylpropanamide
CID 134421267

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)-1-methylpiperidine-4-carboxamide?
The IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)-1-methylpiperidine-4-carboxamide (CID 58319318) is 4-(3,3-difluoropyrrolidin-1-yl)-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for 4-(3,3-difluoropyrrolidin-1-yl)-1-methylpiperidine-4-carboxamide?
The canonical SMILES for 4-(3,3-difluoropyrrolidin-1-yl)-1-methylpiperidine-4-carboxamide is CN1CCC(C(N)=O)(N2CCC(F)(F)C2)CC1.
What is the InChIKey of 4-(3,3-difluoropyrrolidin-1-yl)-1-methylpiperidine-4-carboxamide?
The InChIKey is KMIIHHFOBCGZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3O/c1-15-5-2-10(3-6-15,9(14)17)16-7-4-11(12,13)8-16/h2-8H2,1H3,(H2,14,17).
What are the key properties of 4-(3,3-difluoropyrrolidin-1-yl)-1-methylpiperidine-4-carboxamide?
4-(3,3-difluoropyrrolidin-1-yl)-1-methylpiperidine-4-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-(3,3-difluoropyrrolidin-1-yl)-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 58319318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).