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

C9H16F2N2O — CID 103515649

IUPAC2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide
SMILESCN1CCCC(CNC(=O)C(F)F)C1
InChIInChI=1S/C9H16F2N2O/c1-13-4-2-3-7(6-13)5-12-9(14)8(10)11/h7-8H,2-6H2,1H3,(H,12,14)
InChIKeyBBHKCWWHJTUIEQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.71
Rot. Bonds3

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

2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide (PubChem CID 103515649) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide
PubChem CID103515649
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide
SMILESCN1CCCC(CNC(=O)C(F)F)C1
InChIInChI=1S/C9H16F2N2O/c1-13-4-2-3-7(6-13)5-12-9(14)8(10)11/h7-8H,2-6H2,1H3,(H,12,14)
InChIKeyBBHKCWWHJTUIEQ-UHFFFAOYSA-N
XLogP0.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]-4-oxobutanoic acid
CID 115164613
(2R)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-4-methylsulfanylbutanamide
CID 104908284
2-amino-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]butanamide
CID 62475604
(2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 104897742
N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide
CID 65419155
(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61146973
3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide
CID 62877335
1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 55035175
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
2-methyl-2-[(1-methylpiperidin-3-yl)methylamino]propanoic acid
CID 114999324
3-methoxy-2-[(1-methylpiperidin-3-yl)methylcarbamoylamino]propanoic acid
CID 81084966
3-(2,2-difluoroethyl)-3-methyl-N-[(1-methylazepan-3-yl)methyl]azetidine-1-carboxamide
CID 154788308

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide (CID 103515649) is 2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide is CN1CCCC(CNC(=O)C(F)F)C1.
What is the InChIKey of 2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide?
The InChIKey is BBHKCWWHJTUIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-13-4-2-3-7(6-13)5-12-9(14)8(10)11/h7-8H,2-6H2,1H3,(H,12,14).
What are the key properties of 2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide?
2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide has a molecular weight of 206.24 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide is sourced from PubChem (CID 103515649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).