1-acetyl-4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide

C13H21F2N3O2 — CID 58307123

IUPAC1-acetyl-4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(N)=O)(N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C13H21F2N3O2/c1-10(19)17-6-2-12(3-7-17,11(16)20)18-8-4-13(14,15)5-9-18/h2-9H2,1H3,(H2,16,20)
InChIKeyBJLWOALYGKWUMX-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.58
Rot. Bonds2

About 1-acetyl-4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide

1-acetyl-4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide (PubChem CID 58307123) has the molecular formula C13H21F2N3O2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-acetyl-4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide
PubChem CID58307123
Molecular FormulaC13H21F2N3O2
Molecular Weight289.33 g/mol
Exact Mass289.16
IUPAC Name1-acetyl-4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(N)=O)(N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C13H21F2N3O2/c1-10(19)17-6-2-12(3-7-17,11(16)20)18-8-4-13(14,15)5-9-18/h2-9H2,1H3,(H2,16,20)
InChIKeyBJLWOALYGKWUMX-UHFFFAOYSA-N
XLogP0.58
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-acetyl-4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide (CID 58307123) is 1-acetyl-4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide is CC(=O)N1CCC(C(N)=O)(N2CCC(F)(F)CC2)CC1.
What is the InChIKey of 1-acetyl-4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide?
The InChIKey is BJLWOALYGKWUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3O2/c1-10(19)17-6-2-12(3-7-17,11(16)20)18-8-4-13(14,15)5-9-18/h2-9H2,1H3,(H2,16,20).
What are the key properties of 1-acetyl-4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide?
1-acetyl-4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-(4,4-difluoropiperidin-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 58307123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).