4-[3-(2-amino-2-oxoethyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C25H29ClN4O3 — CID 67679263

IUPAC4-[3-(2-amino-2-oxoethyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3cccc(CC(N)=O)c3C#N)c(Cl)c2)CC(C)(C)N1
InChIInChI=1S/C25H29ClN4O3/c1-24(2)12-17(13-25(3,4)30-24)29-23(32)16-8-9-21(19(26)10-16)33-20-7-5-6-15(11-22(28)31)18(20)14-27/h5-10,17,30H,11-13H2,1-4H3,(H2,28,31)(H,29,32)
InChIKeyCVIDDDUHXVZWAS-UHFFFAOYSA-N
MW468.99 g/mol
LogP4.07
Rot. Bonds6

About 4-[3-(2-amino-2-oxoethyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

4-[3-(2-amino-2-oxoethyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 67679263) has the molecular formula C25H29ClN4O3 and a molecular weight of 468.99 g/mol. Its IUPAC name is 4-[3-(2-amino-2-oxoethyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[3-(2-amino-2-oxoethyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID67679263
Molecular FormulaC25H29ClN4O3
Molecular Weight468.99 g/mol
Exact Mass468.19
IUPAC Name4-[3-(2-amino-2-oxoethyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3cccc(CC(N)=O)c3C#N)c(Cl)c2)CC(C)(C)N1
InChIInChI=1S/C25H29ClN4O3/c1-24(2)12-17(13-25(3,4)30-24)29-23(32)16-8-9-21(19(26)10-16)33-20-7-5-6-15(11-22(28)31)18(20)14-27/h5-10,17,30H,11-13H2,1-4H3,(H2,28,31)(H,29,32)
InChIKeyCVIDDDUHXVZWAS-UHFFFAOYSA-N
XLogP4.07
TPSA117.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.99
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-amino-2-oxoethyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[3-(2-amino-2-oxoethyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 67679263) is 4-[3-(2-amino-2-oxoethyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[3-(2-amino-2-oxoethyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[3-(2-amino-2-oxoethyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(Oc3cccc(CC(N)=O)c3C#N)c(Cl)c2)CC(C)(C)N1.
What is the InChIKey of 4-[3-(2-amino-2-oxoethyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is CVIDDDUHXVZWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O3/c1-24(2)12-17(13-25(3,4)30-24)29-23(32)16-8-9-21(19(26)10-16)33-20-7-5-6-15(11-22(28)31)18(20)14-27/h5-10,17,30H,11-13H2,1-4H3,(H2,28,31)(H,29,32).
What are the key properties of 4-[3-(2-amino-2-oxoethyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
4-[3-(2-amino-2-oxoethyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 468.99 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-amino-2-oxoethyl)-2-cyanophenoxy]-3-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 67679263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).