2-[4-(difluoromethyl)piperidin-1-yl]-N-propan-2-ylacetamide

C11H20F2N2O — CID 153467731

IUPAC2-[4-(difluoromethyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(C(F)F)CC1
InChIInChI=1S/C11H20F2N2O/c1-8(2)14-10(16)7-15-5-3-9(4-6-15)11(12)13/h8-9,11H,3-7H2,1-2H3,(H,14,16)
InChIKeyVMQXDMAULSEMJM-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.49
Rot. Bonds4

About 2-[4-(difluoromethyl)piperidin-1-yl]-N-propan-2-ylacetamide

2-[4-(difluoromethyl)piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 153467731) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(difluoromethyl)piperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID153467731
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name2-[4-(difluoromethyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(C(F)F)CC1
InChIInChI=1S/C11H20F2N2O/c1-8(2)14-10(16)7-15-5-3-9(4-6-15)11(12)13/h8-9,11H,3-7H2,1-2H3,(H,14,16)
InChIKeyVMQXDMAULSEMJM-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(difluoromethyl)piperidin-1-yl]-N-propan-2-ylacetamide 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 2-[4-(difluoromethyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(difluoromethyl)piperidin-1-yl]-N-propan-2-ylacetamide (CID 153467731) is 2-[4-(difluoromethyl)piperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(difluoromethyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(difluoromethyl)piperidin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCC(C(F)F)CC1.
What is the InChIKey of 2-[4-(difluoromethyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is VMQXDMAULSEMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c1-8(2)14-10(16)7-15-5-3-9(4-6-15)11(12)13/h8-9,11H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 2-[4-(difluoromethyl)piperidin-1-yl]-N-propan-2-ylacetamide?
2-[4-(difluoromethyl)piperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 234.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)piperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 153467731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).