5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

C12H21F2N3O — CID 140792818

IUPAC5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCN1CCC(NC(=O)C2CNCC(F)(F)C2)CC1
InChIInChI=1S/C12H21F2N3O/c1-17-4-2-10(3-5-17)16-11(18)9-6-12(13,14)8-15-7-9/h9-10,15H,2-8H2,1H3,(H,16,18)
InChIKeyLXOALWBXQTVAMI-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.44
Rot. Bonds2

About 5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 140792818) has the molecular formula C12H21F2N3O and a molecular weight of 261.32 g/mol. Its IUPAC name is 5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID140792818
Molecular FormulaC12H21F2N3O
Molecular Weight261.32 g/mol
Exact Mass261.17
IUPAC Name5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCN1CCC(NC(=O)C2CNCC(F)(F)C2)CC1
InChIInChI=1S/C12H21F2N3O/c1-17-4-2-10(3-5-17)16-11(18)9-6-12(13,14)8-15-7-9/h9-10,15H,2-8H2,1H3,(H,16,18)
InChIKeyLXOALWBXQTVAMI-UHFFFAOYSA-N
XLogP0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of 5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide (CID 140792818) is 5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide is CN1CCC(NC(=O)C2CNCC(F)(F)C2)CC1.
What is the InChIKey of 5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is LXOALWBXQTVAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N3O/c1-17-4-2-10(3-5-17)16-11(18)9-6-12(13,14)8-15-7-9/h9-10,15H,2-8H2,1H3,(H,16,18).
What are the key properties of 5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 140792818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).