4-(3,3-difluoroazetidin-1-yl)-N-methylpiperidine-2-carboxamide

C10H17F2N3O — CID 145398877

IUPAC4-(3,3-difluoroazetidin-1-yl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CC(N2CC(F)(F)C2)CCN1
InChIInChI=1S/C10H17F2N3O/c1-13-9(16)8-4-7(2-3-14-8)15-5-10(11,12)6-15/h7-8,14H,2-6H2,1H3,(H,13,16)
InChIKeyLTMWLLUKEGFRRW-UHFFFAOYSA-N
MW233.26 g/mol
LogP-0.20
Rot. Bonds2

About 4-(3,3-difluoroazetidin-1-yl)-N-methylpiperidine-2-carboxamide

4-(3,3-difluoroazetidin-1-yl)-N-methylpiperidine-2-carboxamide (PubChem CID 145398877) has the molecular formula C10H17F2N3O and a molecular weight of 233.26 g/mol. Its IUPAC name is 4-(3,3-difluoroazetidin-1-yl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name4-(3,3-difluoroazetidin-1-yl)-N-methylpiperidine-2-carboxamide
PubChem CID145398877
Molecular FormulaC10H17F2N3O
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name4-(3,3-difluoroazetidin-1-yl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CC(N2CC(F)(F)C2)CCN1
InChIInChI=1S/C10H17F2N3O/c1-13-9(16)8-4-7(2-3-14-8)15-5-10(11,12)6-15/h7-8,14H,2-6H2,1H3,(H,13,16)
InChIKeyLTMWLLUKEGFRRW-UHFFFAOYSA-N
XLogP-0.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoroazetidin-1-yl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 4-(3,3-difluoroazetidin-1-yl)-N-methylpiperidine-2-carboxamide (CID 145398877) is 4-(3,3-difluoroazetidin-1-yl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 4-(3,3-difluoroazetidin-1-yl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 4-(3,3-difluoroazetidin-1-yl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CC(N2CC(F)(F)C2)CCN1.
What is the InChIKey of 4-(3,3-difluoroazetidin-1-yl)-N-methylpiperidine-2-carboxamide?
The InChIKey is LTMWLLUKEGFRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O/c1-13-9(16)8-4-7(2-3-14-8)15-5-10(11,12)6-15/h7-8,14H,2-6H2,1H3,(H,13,16).
What are the key properties of 4-(3,3-difluoroazetidin-1-yl)-N-methylpiperidine-2-carboxamide?
4-(3,3-difluoroazetidin-1-yl)-N-methylpiperidine-2-carboxamide has a molecular weight of 233.26 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoroazetidin-1-yl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 145398877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).