(3E)-2-methylidene-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexa-3,5-dienamide

C27H48N4O — CID 89284150

IUPAC(3E)-2-methylidene-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexa-3,5-dienamide
SMILESC=C(/C=C/C(=C)C(=O)NC1CC(C)(C)N(C)C(C)(C)C1)NC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C27H48N4O/c1-19(23(32)29-22-17-26(7,8)31(12)27(9,10)18-22)13-14-20(2)28-21-15-24(3,4)30(11)25(5,6)16-21/h13-14,21-22,28H,1-2,15-18H2,3-12H3,(H,29,32)/b14-13+
InChIKeyUEVHCFZDTAYXMG-BUHFOSPRSA-N
MW444.71 g/mol
LogP4.62
Rot. Bonds6

About (3E)-2-methylidene-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexa-3,5-dienamide

(3E)-2-methylidene-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexa-3,5-dienamide (PubChem CID 89284150) has the molecular formula C27H48N4O and a molecular weight of 444.71 g/mol. Its IUPAC name is (3E)-2-methylidene-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexa-3,5-dienamide.

Molecular Properties

Compound Name(3E)-2-methylidene-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexa-3,5-dienamide
PubChem CID89284150
Molecular FormulaC27H48N4O
Molecular Weight444.71 g/mol
Exact Mass444.38
IUPAC Name(3E)-2-methylidene-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexa-3,5-dienamide
SMILESC=C(/C=C/C(=C)C(=O)NC1CC(C)(C)N(C)C(C)(C)C1)NC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C27H48N4O/c1-19(23(32)29-22-17-26(7,8)31(12)27(9,10)18-22)13-14-20(2)28-21-15-24(3,4)30(11)25(5,6)16-21/h13-14,21-22,28H,1-2,15-18H2,3-12H3,(H,29,32)/b14-13+
InChIKeyUEVHCFZDTAYXMG-BUHFOSPRSA-N
XLogP4.62
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.71
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-methylidene-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexa-3,5-dienamide?
The IUPAC name of (3E)-2-methylidene-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexa-3,5-dienamide (CID 89284150) is (3E)-2-methylidene-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexa-3,5-dienamide.
What is the SMILES notation for (3E)-2-methylidene-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexa-3,5-dienamide?
The canonical SMILES for (3E)-2-methylidene-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexa-3,5-dienamide is C=C(/C=C/C(=C)C(=O)NC1CC(C)(C)N(C)C(C)(C)C1)NC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of (3E)-2-methylidene-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexa-3,5-dienamide?
The InChIKey is UEVHCFZDTAYXMG-BUHFOSPRSA-N. The full InChI is InChI=1S/C27H48N4O/c1-19(23(32)29-22-17-26(7,8)31(12)27(9,10)18-22)13-14-20(2)28-21-15-24(3,4)30(11)25(5,6)16-21/h13-14,21-22,28H,1-2,15-18H2,3-12H3,(H,29,32)/b14-13+.
What are the key properties of (3E)-2-methylidene-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexa-3,5-dienamide?
(3E)-2-methylidene-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexa-3,5-dienamide has a molecular weight of 444.71 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-methylidene-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexa-3,5-dienamide is sourced from PubChem (CID 89284150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).