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

C15H20F2N2O2 — CID 169209389

IUPAC2,2-difluoro-2-(3-methylphenoxy)-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide
SMILESCc1cccc(OC(F)(F)C(=O)N[C@H]2CCNC[C@@H]2C)c1
InChIInChI=1S/C15H20F2N2O2/c1-10-4-3-5-12(8-10)21-15(16,17)14(20)19-13-6-7-18-9-11(13)2/h3-5,8,11,13,18H,6-7,9H2,1-2H3,(H,19,20)/t11-,13-/m0/s1
InChIKeyNYKUYPQRUATFLJ-AAEUAGOBSA-N
MW298.33 g/mol
LogP2.08
Rot. Bonds4

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

2,2-difluoro-2-(3-methylphenoxy)-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide (PubChem CID 169209389) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 2,2-difluoro-2-(3-methylphenoxy)-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(3-methylphenoxy)-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide
PubChem CID169209389
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name2,2-difluoro-2-(3-methylphenoxy)-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide
SMILESCc1cccc(OC(F)(F)C(=O)N[C@H]2CCNC[C@@H]2C)c1
InChIInChI=1S/C15H20F2N2O2/c1-10-4-3-5-12(8-10)21-15(16,17)14(20)19-13-6-7-18-9-11(13)2/h3-5,8,11,13,18H,6-7,9H2,1-2H3,(H,19,20)/t11-,13-/m0/s1
InChIKeyNYKUYPQRUATFLJ-AAEUAGOBSA-N
XLogP2.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(3-methylphenoxy)-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide?
The IUPAC name of 2,2-difluoro-2-(3-methylphenoxy)-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide (CID 169209389) is 2,2-difluoro-2-(3-methylphenoxy)-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide.
What is the SMILES notation for 2,2-difluoro-2-(3-methylphenoxy)-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide?
The canonical SMILES for 2,2-difluoro-2-(3-methylphenoxy)-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide is Cc1cccc(OC(F)(F)C(=O)N[C@H]2CCNC[C@@H]2C)c1.
What is the InChIKey of 2,2-difluoro-2-(3-methylphenoxy)-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide?
The InChIKey is NYKUYPQRUATFLJ-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-10-4-3-5-12(8-10)21-15(16,17)14(20)19-13-6-7-18-9-11(13)2/h3-5,8,11,13,18H,6-7,9H2,1-2H3,(H,19,20)/t11-,13-/m0/s1.
What are the key properties of 2,2-difluoro-2-(3-methylphenoxy)-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide?
2,2-difluoro-2-(3-methylphenoxy)-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide has a molecular weight of 298.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(3-methylphenoxy)-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide is sourced from PubChem (CID 169209389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).