(2S)-N-(2-cyanophenyl)-N,2-dimethyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide

C22H33N3O2 — CID 155929208

IUPAC(2S)-N-(2-cyanophenyl)-N,2-dimethyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide
SMILESCC[C@](C)(ON1C(C)(C)CCCC1(C)C)C(=O)N(C)c1ccccc1C#N
InChIInChI=1S/C22H33N3O2/c1-8-22(6,27-25-20(2,3)14-11-15-21(25,4)5)19(26)24(7)18-13-10-9-12-17(18)16-23/h9-10,12-13H,8,11,14-15H2,1-7H3/t22-/m0/s1
InChIKeyLRQLJZALWDLWKZ-QFIPXVFZSA-N
MW371.53 g/mol
LogP4.66
Rot. Bonds5

About (2S)-N-(2-cyanophenyl)-N,2-dimethyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide

(2S)-N-(2-cyanophenyl)-N,2-dimethyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide (PubChem CID 155929208) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is (2S)-N-(2-cyanophenyl)-N,2-dimethyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide.

Molecular Properties

Compound Name(2S)-N-(2-cyanophenyl)-N,2-dimethyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide
PubChem CID155929208
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name(2S)-N-(2-cyanophenyl)-N,2-dimethyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide
SMILESCC[C@](C)(ON1C(C)(C)CCCC1(C)C)C(=O)N(C)c1ccccc1C#N
InChIInChI=1S/C22H33N3O2/c1-8-22(6,27-25-20(2,3)14-11-15-21(25,4)5)19(26)24(7)18-13-10-9-12-17(18)16-23/h9-10,12-13H,8,11,14-15H2,1-7H3/t22-/m0/s1
InChIKeyLRQLJZALWDLWKZ-QFIPXVFZSA-N
XLogP4.66
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyanophenyl)-N,2-dimethyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide?
The IUPAC name of (2S)-N-(2-cyanophenyl)-N,2-dimethyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide (CID 155929208) is (2S)-N-(2-cyanophenyl)-N,2-dimethyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide.
What is the SMILES notation for (2S)-N-(2-cyanophenyl)-N,2-dimethyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide?
The canonical SMILES for (2S)-N-(2-cyanophenyl)-N,2-dimethyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide is CC[C@](C)(ON1C(C)(C)CCCC1(C)C)C(=O)N(C)c1ccccc1C#N.
What is the InChIKey of (2S)-N-(2-cyanophenyl)-N,2-dimethyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide?
The InChIKey is LRQLJZALWDLWKZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-8-22(6,27-25-20(2,3)14-11-15-21(25,4)5)19(26)24(7)18-13-10-9-12-17(18)16-23/h9-10,12-13H,8,11,14-15H2,1-7H3/t22-/m0/s1.
What are the key properties of (2S)-N-(2-cyanophenyl)-N,2-dimethyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide?
(2S)-N-(2-cyanophenyl)-N,2-dimethyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide has a molecular weight of 371.53 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyanophenyl)-N,2-dimethyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanamide is sourced from PubChem (CID 155929208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).