4-(2-cyanophenoxy)-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C29H31N3O2 — CID 123471044

IUPAC4-(2-cyanophenoxy)-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3ccccc3C#N)c(-c3ccccc3)c2)CC(C)(C)N1
InChIInChI=1S/C29H31N3O2/c1-28(2)17-23(18-29(3,4)32-28)31-27(33)21-14-15-26(24(16-21)20-10-6-5-7-11-20)34-25-13-9-8-12-22(25)19-30/h5-16,23,32H,17-18H2,1-4H3,(H,31,33)
InChIKeyPDGKYWWWXIXCBJ-UHFFFAOYSA-N
MW453.59 g/mol
LogP6.06
Rot. Bonds5

About 4-(2-cyanophenoxy)-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

4-(2-cyanophenoxy)-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 123471044) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 4-(2-cyanophenoxy)-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-(2-cyanophenoxy)-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID123471044
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC Name4-(2-cyanophenoxy)-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3ccccc3C#N)c(-c3ccccc3)c2)CC(C)(C)N1
InChIInChI=1S/C29H31N3O2/c1-28(2)17-23(18-29(3,4)32-28)31-27(33)21-14-15-26(24(16-21)20-10-6-5-7-11-20)34-25-13-9-8-12-22(25)19-30/h5-16,23,32H,17-18H2,1-4H3,(H,31,33)
InChIKeyPDGKYWWWXIXCBJ-UHFFFAOYSA-N
XLogP6.06
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenoxy)-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 4-(2-cyanophenoxy)-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 123471044) is 4-(2-cyanophenoxy)-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-(2-cyanophenoxy)-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-(2-cyanophenoxy)-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(Oc3ccccc3C#N)c(-c3ccccc3)c2)CC(C)(C)N1.
What is the InChIKey of 4-(2-cyanophenoxy)-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is PDGKYWWWXIXCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-28(2)17-23(18-29(3,4)32-28)31-27(33)21-14-15-26(24(16-21)20-10-6-5-7-11-20)34-25-13-9-8-12-22(25)19-30/h5-16,23,32H,17-18H2,1-4H3,(H,31,33).
What are the key properties of 4-(2-cyanophenoxy)-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
4-(2-cyanophenoxy)-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 453.59 g/mol, XLogP of 6.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenoxy)-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 123471044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).