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

C14H18F2N2O — CID 124517360

IUPAC2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide
SMILESC[C@@H]1NCCC[C@@H]1NC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O/c1-9-13(3-2-6-17-9)18-14(19)7-10-4-5-11(15)8-12(10)16/h4-5,8-9,13,17H,2-3,6-7H2,1H3,(H,18,19)/t9-,13-/m0/s1
InChIKeyFNGZTJNRLRFTOO-ZANVPECISA-N
MW268.31 g/mol
LogP1.76
Rot. Bonds3

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

2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide (PubChem CID 124517360) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide
PubChem CID124517360
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide
SMILESC[C@@H]1NCCC[C@@H]1NC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O/c1-9-13(3-2-6-17-9)18-14(19)7-10-4-5-11(15)8-12(10)16/h4-5,8-9,13,17H,2-3,6-7H2,1H3,(H,18,19)/t9-,13-/m0/s1
InChIKeyFNGZTJNRLRFTOO-ZANVPECISA-N
XLogP1.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide (CID 124517360) is 2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide is C[C@@H]1NCCC[C@@H]1NC(=O)Cc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide?
The InChIKey is FNGZTJNRLRFTOO-ZANVPECISA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-9-13(3-2-6-17-9)18-14(19)7-10-4-5-11(15)8-12(10)16/h4-5,8-9,13,17H,2-3,6-7H2,1H3,(H,18,19)/t9-,13-/m0/s1.
What are the key properties of 2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide?
2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide has a molecular weight of 268.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide is sourced from PubChem (CID 124517360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).