N-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide

C14H20F2N4O — CID 37476264

IUPACN-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(Cc2nccn2C(F)F)CC1)C1CC1
InChIInChI=1S/C14H20F2N4O/c15-14(16)20-8-5-17-12(20)9-19-6-3-11(4-7-19)18-13(21)10-1-2-10/h5,8,10-11,14H,1-4,6-7,9H2,(H,18,21)
InChIKeyAOWPFQAPUWXLGI-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.77
Rot. Bonds5

About N-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 37476264) has the molecular formula C14H20F2N4O and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID37476264
Molecular FormulaC14H20F2N4O
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC NameN-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(Cc2nccn2C(F)F)CC1)C1CC1
InChIInChI=1S/C14H20F2N4O/c15-14(16)20-8-5-17-12(20)9-19-6-3-11(4-7-19)18-13(21)10-1-2-10/h5,8,10-11,14H,1-4,6-7,9H2,(H,18,21)
InChIKeyAOWPFQAPUWXLGI-UHFFFAOYSA-N
XLogP1.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide 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 N-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide (CID 37476264) is N-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide is O=C(NC1CCN(Cc2nccn2C(F)F)CC1)C1CC1.
What is the InChIKey of N-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is AOWPFQAPUWXLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O/c15-14(16)20-8-5-17-12(20)9-19-6-3-11(4-7-19)18-13(21)10-1-2-10/h5,8,10-11,14H,1-4,6-7,9H2,(H,18,21).
What are the key properties of N-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 298.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 37476264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).