4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-carboxamide

C27H29N3O2 — CID 67679449

IUPAC4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3ccccc3C#N)c3ccccc23)CC(C)(C)N1
InChIInChI=1S/C27H29N3O2/c1-26(2)15-19(16-27(3,4)30-26)29-25(31)22-13-14-24(21-11-7-6-10-20(21)22)32-23-12-8-5-9-18(23)17-28/h5-14,19,30H,15-16H2,1-4H3,(H,29,31)
InChIKeyPCWCVCXZCQLKDI-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.54
Rot. Bonds4

About 4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-carboxamide

4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-carboxamide (PubChem CID 67679449) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-carboxamide
PubChem CID67679449
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3ccccc3C#N)c3ccccc23)CC(C)(C)N1
InChIInChI=1S/C27H29N3O2/c1-26(2)15-19(16-27(3,4)30-26)29-25(31)22-13-14-24(21-11-7-6-10-20(21)22)32-23-12-8-5-9-18(23)17-28/h5-14,19,30H,15-16H2,1-4H3,(H,29,31)
InChIKeyPCWCVCXZCQLKDI-UHFFFAOYSA-N
XLogP5.54
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-carboxamide?
The IUPAC name of 4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-carboxamide (CID 67679449) is 4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-carboxamide?
The canonical SMILES for 4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-carboxamide is CC1(C)CC(NC(=O)c2ccc(Oc3ccccc3C#N)c3ccccc23)CC(C)(C)N1.
What is the InChIKey of 4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-carboxamide?
The InChIKey is PCWCVCXZCQLKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-26(2)15-19(16-27(3,4)30-26)29-25(31)22-13-14-24(21-11-7-6-10-20(21)22)32-23-12-8-5-9-18(23)17-28/h5-14,19,30H,15-16H2,1-4H3,(H,29,31).
What are the key properties of 4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-carboxamide?
4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 67679449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).