2,2-difluoro-N-[[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methyl]acetamide

C15H24F2N4O — CID 56753573

IUPAC2,2-difluoro-N-[[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methyl]acetamide
SMILESCCCn1ccnc1CN1CCCC(CNC(=O)C(F)F)C1
InChIInChI=1S/C15H24F2N4O/c1-2-6-21-8-5-18-13(21)11-20-7-3-4-12(10-20)9-19-15(22)14(16)17/h5,8,12,14H,2-4,6-7,9-11H2,1H3,(H,19,22)
InChIKeyINAXCRGXBRABRB-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.89
Rot. Bonds7

About 2,2-difluoro-N-[[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methyl]acetamide

2,2-difluoro-N-[[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methyl]acetamide (PubChem CID 56753573) has the molecular formula C15H24F2N4O and a molecular weight of 314.38 g/mol. Its IUPAC name is 2,2-difluoro-N-[[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methyl]acetamide
PubChem CID56753573
Molecular FormulaC15H24F2N4O
Molecular Weight314.38 g/mol
Exact Mass314.19
IUPAC Name2,2-difluoro-N-[[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methyl]acetamide
SMILESCCCn1ccnc1CN1CCCC(CNC(=O)C(F)F)C1
InChIInChI=1S/C15H24F2N4O/c1-2-6-21-8-5-18-13(21)11-20-7-3-4-12(10-20)9-19-15(22)14(16)17/h5,8,12,14H,2-4,6-7,9-11H2,1H3,(H,19,22)
InChIKeyINAXCRGXBRABRB-UHFFFAOYSA-N
XLogP1.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methyl]acetamide (CID 56753573) is 2,2-difluoro-N-[[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methyl]acetamide is CCCn1ccnc1CN1CCCC(CNC(=O)C(F)F)C1.
What is the InChIKey of 2,2-difluoro-N-[[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methyl]acetamide?
The InChIKey is INAXCRGXBRABRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N4O/c1-2-6-21-8-5-18-13(21)11-20-7-3-4-12(10-20)9-19-15(22)14(16)17/h5,8,12,14H,2-4,6-7,9-11H2,1H3,(H,19,22).
What are the key properties of 2,2-difluoro-N-[[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methyl]acetamide?
2,2-difluoro-N-[[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methyl]acetamide has a molecular weight of 314.38 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 56753573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).