(2,2,6,6-tetramethylpiperidin-4-yl) 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate

C22H41N3O2 — CID 1378486

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate
SMILESCC(=CC(=O)OC1CC(C)(C)NC(C)(C)C1)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H41N3O2/c1-15(23-16-11-19(2,3)24-20(4,5)12-16)10-18(26)27-17-13-21(6,7)25-22(8,9)14-17/h10,16-17,23-25H,11-14H2,1-9H3
InChIKeyBHBSBLITCCGYLJ-UHFFFAOYSA-N
MW379.59 g/mol
LogP3.64
Rot. Bonds4

About (2,2,6,6-tetramethylpiperidin-4-yl) 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate

(2,2,6,6-tetramethylpiperidin-4-yl) 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate (PubChem CID 1378486) has the molecular formula C22H41N3O2 and a molecular weight of 379.59 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate
PubChem CID1378486
Molecular FormulaC22H41N3O2
Molecular Weight379.59 g/mol
Exact Mass379.32
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate
SMILESCC(=CC(=O)OC1CC(C)(C)NC(C)(C)C1)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H41N3O2/c1-15(23-16-11-19(2,3)24-20(4,5)12-16)10-18(26)27-17-13-21(6,7)25-22(8,9)14-17/h10,16-17,23-25H,11-14H2,1-9H3
InChIKeyBHBSBLITCCGYLJ-UHFFFAOYSA-N
XLogP3.64
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.59
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate (CID 1378486) is (2,2,6,6-tetramethylpiperidin-4-yl) 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate is CC(=CC(=O)OC1CC(C)(C)NC(C)(C)C1)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate?
The InChIKey is BHBSBLITCCGYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N3O2/c1-15(23-16-11-19(2,3)24-20(4,5)12-16)10-18(26)27-17-13-21(6,7)25-22(8,9)14-17/h10,16-17,23-25H,11-14H2,1-9H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate?
(2,2,6,6-tetramethylpiperidin-4-yl) 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate has a molecular weight of 379.59 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) 3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoate is sourced from PubChem (CID 1378486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).