N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide

C16H22F2N2O — CID 62649219

IUPACN-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide
SMILESCC(C)(C)N1CCC(NC(=O)c2cccc(F)c2F)CC1
InChIInChI=1S/C16H22F2N2O/c1-16(2,3)20-9-7-11(8-10-20)19-15(21)12-5-4-6-13(17)14(12)18/h4-6,11H,7-10H2,1-3H3,(H,19,21)
InChIKeyHXLMNSJSBMUUGL-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.96
Rot. Bonds2

About N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide

N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide (PubChem CID 62649219) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide
PubChem CID62649219
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC NameN-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide
SMILESCC(C)(C)N1CCC(NC(=O)c2cccc(F)c2F)CC1
InChIInChI=1S/C16H22F2N2O/c1-16(2,3)20-9-7-11(8-10-20)19-15(21)12-5-4-6-13(17)14(12)18/h4-6,11H,7-10H2,1-3H3,(H,19,21)
InChIKeyHXLMNSJSBMUUGL-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 62660672
3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide
CID 61101990
2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide
CID 115540148
N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide
CID 62661461
2,3-difluoro-N-(thian-4-yl)benzamide
CID 115605205
N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493
N-[1-(cyanomethyl)piperidin-4-yl]-2,3-difluorobenzamide
CID 63625025
2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide
CID 103754728
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2,3-difluorobenzamide
CID 63627169
2,3-difluoro-N-(4-methylcycloheptyl)benzamide
CID 102795195
3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide
CID 60944646

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide?
The IUPAC name of N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide (CID 62649219) is N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide.
What is the SMILES notation for N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide?
The canonical SMILES for N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide is CC(C)(C)N1CCC(NC(=O)c2cccc(F)c2F)CC1.
What is the InChIKey of N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide?
The InChIKey is HXLMNSJSBMUUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-16(2,3)20-9-7-11(8-10-20)19-15(21)12-5-4-6-13(17)14(12)18/h4-6,11H,7-10H2,1-3H3,(H,19,21).
What are the key properties of N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide?
N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide has a molecular weight of 296.36 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide is sourced from PubChem (CID 62649219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).