N-(1-tert-butylpiperidin-4-yl)-2,4-difluoro-6-hydroxybenzamide

C16H22F2N2O2 — CID 86861756

IUPACN-(1-tert-butylpiperidin-4-yl)-2,4-difluoro-6-hydroxybenzamide
SMILESCC(C)(C)N1CCC(NC(=O)c2c(O)cc(F)cc2F)CC1
InChIInChI=1S/C16H22F2N2O2/c1-16(2,3)20-6-4-11(5-7-20)19-15(22)14-12(18)8-10(17)9-13(14)21/h8-9,11,21H,4-7H2,1-3H3,(H,19,22)
InChIKeyQIPMLCPKQULOSH-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.66
Rot. Bonds2

About N-(1-tert-butylpiperidin-4-yl)-2,4-difluoro-6-hydroxybenzamide

N-(1-tert-butylpiperidin-4-yl)-2,4-difluoro-6-hydroxybenzamide (PubChem CID 86861756) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is N-(1-tert-butylpiperidin-4-yl)-2,4-difluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-tert-butylpiperidin-4-yl)-2,4-difluoro-6-hydroxybenzamide
PubChem CID86861756
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC NameN-(1-tert-butylpiperidin-4-yl)-2,4-difluoro-6-hydroxybenzamide
SMILESCC(C)(C)N1CCC(NC(=O)c2c(O)cc(F)cc2F)CC1
InChIInChI=1S/C16H22F2N2O2/c1-16(2,3)20-6-4-11(5-7-20)19-15(22)14-12(18)8-10(17)9-13(14)21/h8-9,11,21H,4-7H2,1-3H3,(H,19,22)
InChIKeyQIPMLCPKQULOSH-UHFFFAOYSA-N
XLogP2.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide
CID 62649219
N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide
CID 61042495
2,4,6-trifluoro-N-(4-hydroxycyclohexyl)benzamide
CID 65100669
N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493
N-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide
CID 170668441
4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide
CID 60945933
4-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 61102372
3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide
CID 60944646
5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide
CID 61034621
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluoro-6-hydroxybenzamide
CID 47465818
N-cyclohexyl-4-[2-(4-fluorophenyl)propan-2-yl]-2,6-dihydroxybenzamide
CID 164538947
N-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 112733890

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpiperidin-4-yl)-2,4-difluoro-6-hydroxybenzamide?
The IUPAC name of N-(1-tert-butylpiperidin-4-yl)-2,4-difluoro-6-hydroxybenzamide (CID 86861756) is N-(1-tert-butylpiperidin-4-yl)-2,4-difluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(1-tert-butylpiperidin-4-yl)-2,4-difluoro-6-hydroxybenzamide?
The canonical SMILES for N-(1-tert-butylpiperidin-4-yl)-2,4-difluoro-6-hydroxybenzamide is CC(C)(C)N1CCC(NC(=O)c2c(O)cc(F)cc2F)CC1.
What is the InChIKey of N-(1-tert-butylpiperidin-4-yl)-2,4-difluoro-6-hydroxybenzamide?
The InChIKey is QIPMLCPKQULOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-16(2,3)20-6-4-11(5-7-20)19-15(22)14-12(18)8-10(17)9-13(14)21/h8-9,11,21H,4-7H2,1-3H3,(H,19,22).
What are the key properties of N-(1-tert-butylpiperidin-4-yl)-2,4-difluoro-6-hydroxybenzamide?
N-(1-tert-butylpiperidin-4-yl)-2,4-difluoro-6-hydroxybenzamide has a molecular weight of 312.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpiperidin-4-yl)-2,4-difluoro-6-hydroxybenzamide is sourced from PubChem (CID 86861756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).