2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide

C15H20F2N2O — CID 114955654

IUPAC2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide
SMILESCC1CCNCC1CNC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C15H20F2N2O/c1-10-5-6-18-8-12(10)9-19-14(20)7-11-3-2-4-13(16)15(11)17/h2-4,10,12,18H,5-9H2,1H3,(H,19,20)
InChIKeyHSPBBKDYYUNMAO-UHFFFAOYSA-N
MW282.33 g/mol
LogP1.87
Rot. Bonds4

About 2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide

2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide (PubChem CID 114955654) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide
PubChem CID114955654
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide
SMILESCC1CCNCC1CNC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C15H20F2N2O/c1-10-5-6-18-8-12(10)9-19-14(20)7-11-3-2-4-13(16)15(11)17/h2-4,10,12,18H,5-9H2,1H3,(H,19,20)
InChIKeyHSPBBKDYYUNMAO-UHFFFAOYSA-N
XLogP1.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluorophenyl)-N-[(3-methylpiperidin-4-yl)methyl]acetamide
CID 114700053
2-(2,3-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537007
N-[(2-chlorocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide
CID 114303281
N-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide
CID 114313972
N-[(4-methylpiperidin-3-yl)methyl]propanamide
CID 114955720
3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955798
1-(3-fluorophenyl)-3-[(4-methylpiperidin-3-yl)methyl]urea
CID 114955836
3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide
CID 114955766
3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955769
2,3-dimethoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955616
4-methoxy-N-[(4-methylpiperidin-3-yl)methyl]butanamide
CID 114955807
2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62660422

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide (CID 114955654) is 2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide is CC1CCNCC1CNC(=O)Cc1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide?
The InChIKey is HSPBBKDYYUNMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-10-5-6-18-8-12(10)9-19-14(20)7-11-3-2-4-13(16)15(11)17/h2-4,10,12,18H,5-9H2,1H3,(H,19,20).
What are the key properties of 2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide?
2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide has a molecular weight of 282.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-[(4-methylpiperidin-3-yl)methyl]acetamide is sourced from PubChem (CID 114955654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).