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

C27H34N4O3 — CID 123730227

IUPAC4-(2-cyanophenoxy)-3-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3ccccc3C#N)c(N3CCOCC3)c2)CC(C)(C)N1
InChIInChI=1S/C27H34N4O3/c1-26(2)16-21(17-27(3,4)30-26)29-25(32)19-9-10-24(22(15-19)31-11-13-33-14-12-31)34-23-8-6-5-7-20(23)18-28/h5-10,15,21,30H,11-14,16-17H2,1-4H3,(H,29,32)
InChIKeyBVQAZCBHKFQNDZ-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.23
Rot. Bonds5

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

4-(2-cyanophenoxy)-3-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 123730227) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is 4-(2-cyanophenoxy)-3-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-(2-cyanophenoxy)-3-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID123730227
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name4-(2-cyanophenoxy)-3-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3ccccc3C#N)c(N3CCOCC3)c2)CC(C)(C)N1
InChIInChI=1S/C27H34N4O3/c1-26(2)16-21(17-27(3,4)30-26)29-25(32)19-9-10-24(22(15-19)31-11-13-33-14-12-31)34-23-8-6-5-7-20(23)18-28/h5-10,15,21,30H,11-14,16-17H2,1-4H3,(H,29,32)
InChIKeyBVQAZCBHKFQNDZ-UHFFFAOYSA-N
XLogP4.23
TPSA86.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-(2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 57344336
4-(2-morpholin-4-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 57344971
4-(2-cyanophenoxy)-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 123471044
3-chloro-4-(2-cyanophenoxy)-N-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]benzamide
CID 90655839
3-chloro-4-[(3-cyano-2-pyridinyl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 123882526
3-chloro-4-(2-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67678992
4-[3-(2-amino-2-oxoethyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679263
3-chloro-4-[2-(1-hydroxyethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679606
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
CID 158461970
3-bromo-4-(2-cyano-3-pyridin-3-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679605
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methoxy-3-morpholin-4-ylbenzamide
CID 46977380
2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile
CID 158066458

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenoxy)-3-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 4-(2-cyanophenoxy)-3-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 123730227) is 4-(2-cyanophenoxy)-3-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-(2-cyanophenoxy)-3-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-(2-cyanophenoxy)-3-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(Oc3ccccc3C#N)c(N3CCOCC3)c2)CC(C)(C)N1.
What is the InChIKey of 4-(2-cyanophenoxy)-3-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is BVQAZCBHKFQNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-26(2)16-21(17-27(3,4)30-26)29-25(32)19-9-10-24(22(15-19)31-11-13-33-14-12-31)34-23-8-6-5-7-20(23)18-28/h5-10,15,21,30H,11-14,16-17H2,1-4H3,(H,29,32).
What are the key properties of 4-(2-cyanophenoxy)-3-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
4-(2-cyanophenoxy)-3-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 462.59 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenoxy)-3-morpholin-4-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 123730227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).