3,5-difluoro-N-(4-methylpiperidin-3-yl)benzamide

C13H16F2N2O — CID 63326352

IUPAC3,5-difluoro-N-(4-methylpiperidin-3-yl)benzamide
SMILESCC1CCNCC1NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C13H16F2N2O/c1-8-2-3-16-7-12(8)17-13(18)9-4-10(14)6-11(15)5-9/h4-6,8,12,16H,2-3,7H2,1H3,(H,17,18)
InChIKeyBGKGEHSINRBWJH-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.69
Rot. Bonds2

About 3,5-difluoro-N-(4-methylpiperidin-3-yl)benzamide

3,5-difluoro-N-(4-methylpiperidin-3-yl)benzamide (PubChem CID 63326352) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 3,5-difluoro-N-(4-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(4-methylpiperidin-3-yl)benzamide
PubChem CID63326352
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name3,5-difluoro-N-(4-methylpiperidin-3-yl)benzamide
SMILESCC1CCNCC1NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C13H16F2N2O/c1-8-2-3-16-7-12(8)17-13(18)9-4-10(14)6-11(15)5-9/h4-6,8,12,16H,2-3,7H2,1H3,(H,17,18)
InChIKeyBGKGEHSINRBWJH-UHFFFAOYSA-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

3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555221
N-(4-methylpiperidin-3-yl)benzamide
CID 63326220
2,4-difluoro-N-[(3R,4R)-4-methylpiperidin-3-yl]benzamide
CID 95401781
5-fluoro-2-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]benzamide
CID 95401845
2-fluoro-6-hydroxy-N-(4-methylpiperidin-3-yl)benzamide
CID 107014738
2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516935
3,4-dimethoxy-N-(4-methylpiperidin-3-yl)benzamide
CID 63326349
1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide
CID 63326138
3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 99618356
N-(4-methylpiperidin-3-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 55231266
3-bromo-5-fluoro-N-pyrrolidin-3-ylbenzamide
CID 62380250
2,5-dimethyl-N-(4-methylpiperidin-3-yl)benzamide
CID 63325964

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(4-methylpiperidin-3-yl)benzamide?
The IUPAC name of 3,5-difluoro-N-(4-methylpiperidin-3-yl)benzamide (CID 63326352) is 3,5-difluoro-N-(4-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 3,5-difluoro-N-(4-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 3,5-difluoro-N-(4-methylpiperidin-3-yl)benzamide is CC1CCNCC1NC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-(4-methylpiperidin-3-yl)benzamide?
The InChIKey is BGKGEHSINRBWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-8-2-3-16-7-12(8)17-13(18)9-4-10(14)6-11(15)5-9/h4-6,8,12,16H,2-3,7H2,1H3,(H,17,18).
What are the key properties of 3,5-difluoro-N-(4-methylpiperidin-3-yl)benzamide?
3,5-difluoro-N-(4-methylpiperidin-3-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 3,5-difluoro-N-(4-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 63326352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).