(2,2,6,6-tetramethylpiperidin-4-yl) 4-[(2-cyanoacetyl)amino]benzoate

C19H25N3O3 — CID 168524256

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) 4-[(2-cyanoacetyl)amino]benzoate
SMILESCC1(C)CC(OC(=O)c2ccc(NC(=O)CC#N)cc2)CC(C)(C)N1
InChIInChI=1S/C19H25N3O3/c1-18(2)11-15(12-19(3,4)22-18)25-17(24)13-5-7-14(8-6-13)21-16(23)9-10-20/h5-8,15,22H,9,11-12H2,1-4H3,(H,21,23)
InChIKeyPPIYCDGCMNBSGA-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.00
Rot. Bonds4

About (2,2,6,6-tetramethylpiperidin-4-yl) 4-[(2-cyanoacetyl)amino]benzoate

(2,2,6,6-tetramethylpiperidin-4-yl) 4-[(2-cyanoacetyl)amino]benzoate (PubChem CID 168524256) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) 4-[(2-cyanoacetyl)amino]benzoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) 4-[(2-cyanoacetyl)amino]benzoate
PubChem CID168524256
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) 4-[(2-cyanoacetyl)amino]benzoate
SMILESCC1(C)CC(OC(=O)c2ccc(NC(=O)CC#N)cc2)CC(C)(C)N1
InChIInChI=1S/C19H25N3O3/c1-18(2)11-15(12-19(3,4)22-18)25-17(24)13-5-7-14(8-6-13)21-16(23)9-10-20/h5-8,15,22H,9,11-12H2,1-4H3,(H,21,23)
InChIKeyPPIYCDGCMNBSGA-UHFFFAOYSA-N
XLogP3.00
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 4-[(2-cyanoacetyl)amino]benzoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 4-[(2-cyanoacetyl)amino]benzoate (CID 168524256) is (2,2,6,6-tetramethylpiperidin-4-yl) 4-[(2-cyanoacetyl)amino]benzoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) 4-[(2-cyanoacetyl)amino]benzoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) 4-[(2-cyanoacetyl)amino]benzoate is CC1(C)CC(OC(=O)c2ccc(NC(=O)CC#N)cc2)CC(C)(C)N1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) 4-[(2-cyanoacetyl)amino]benzoate?
The InChIKey is PPIYCDGCMNBSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-18(2)11-15(12-19(3,4)22-18)25-17(24)13-5-7-14(8-6-13)21-16(23)9-10-20/h5-8,15,22H,9,11-12H2,1-4H3,(H,21,23).
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) 4-[(2-cyanoacetyl)amino]benzoate?
(2,2,6,6-tetramethylpiperidin-4-yl) 4-[(2-cyanoacetyl)amino]benzoate has a molecular weight of 343.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) 4-[(2-cyanoacetyl)amino]benzoate is sourced from PubChem (CID 168524256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).