4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C16H23ClN2O — CID 744756

IUPAC4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Cl)cc2)CC(C)(C)N1
InChIInChI=1S/C16H23ClN2O/c1-15(2)9-13(10-16(3,4)19-15)18-14(20)11-5-7-12(17)8-6-11/h5-8,13,19H,9-10H2,1-4H3,(H,18,20)
InChIKeySIIKKHDJGKKTKT-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.38
Rot. Bonds2

About 4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 744756) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID744756
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Cl)cc2)CC(C)(C)N1
InChIInChI=1S/C16H23ClN2O/c1-15(2)9-13(10-16(3,4)19-15)18-14(20)11-5-7-12(17)8-6-11/h5-8,13,19H,9-10H2,1-4H3,(H,18,20)
InChIKeySIIKKHDJGKKTKT-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 744756) is 4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(Cl)cc2)CC(C)(C)N1.
What is the InChIKey of 4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is SIIKKHDJGKKTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-15(2)9-13(10-16(3,4)19-15)18-14(20)11-5-7-12(17)8-6-11/h5-8,13,19H,9-10H2,1-4H3,(H,18,20).
What are the key properties of 4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 294.83 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 744756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).