2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide

C13H16F2N2O — CID 124516939

IUPAC2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
SMILESC[C@H]1CNCC[C@H]1NC(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H16F2N2O/c1-8-7-16-5-4-12(8)17-13(18)10-6-9(14)2-3-11(10)15/h2-3,6,8,12,16H,4-5,7H2,1H3,(H,17,18)/t8-,12+/m0/s1
InChIKeyTXMKFQLMJRWGAD-QPUJVOFHSA-N
MW254.28 g/mol
LogP1.69
Rot. Bonds2

About 2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide

2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide (PubChem CID 124516939) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
PubChem CID124516939
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
SMILESC[C@H]1CNCC[C@H]1NC(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H16F2N2O/c1-8-7-16-5-4-12(8)17-13(18)10-6-9(14)2-3-11(10)15/h2-3,6,8,12,16H,4-5,7H2,1H3,(H,17,18)/t8-,12+/m0/s1
InChIKeyTXMKFQLMJRWGAD-QPUJVOFHSA-N
XLogP1.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
2,4-difluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79887319
2-fluoro-4-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120555140
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79886711
2-fluoro-N-(3-methylpiperidin-4-yl)-5-(2-oxoimidazolidin-1-yl)benzamide
CID 120556656
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556103
2,4-difluoro-N-[(3R,4R)-4-methylpiperidin-3-yl]benzamide
CID 95401781
2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516935
5-fluoro-2-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]benzamide
CID 95401845
2,5-difluoro-N-piperidin-4-ylbenzamide
CID 24690587
2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide
CID 120554233
2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 81480777

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide?
The IUPAC name of 2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide (CID 124516939) is 2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide is C[C@H]1CNCC[C@H]1NC(=O)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide?
The InChIKey is TXMKFQLMJRWGAD-QPUJVOFHSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-8-7-16-5-4-12(8)17-13(18)10-6-9(14)2-3-11(10)15/h2-3,6,8,12,16H,4-5,7H2,1H3,(H,17,18)/t8-,12+/m0/s1.
What are the key properties of 2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide?
2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide has a molecular weight of 254.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide is sourced from PubChem (CID 124516939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).