4-methylidene-2-prop-1-enyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)pent-2-enediamide

C27H46N4O2 — CID 123449583

IUPAC4-methylidene-2-prop-1-enyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)pent-2-enediamide
SMILESC=C(C=C(C=CC)C(=O)NC1CC(C)(C)NC(C)(C)C1)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H46N4O2/c1-11-12-19(23(33)29-21-16-26(7,8)31-27(9,10)17-21)13-18(2)22(32)28-20-14-24(3,4)30-25(5,6)15-20/h11-13,20-21,30-31H,2,14-17H2,1,3-10H3,(H,28,32)(H,29,33)
InChIKeySDSBRGQFNAMQMK-UHFFFAOYSA-N
MW458.69 g/mol
LogP3.90
Rot. Bonds6

About 4-methylidene-2-prop-1-enyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)pent-2-enediamide

4-methylidene-2-prop-1-enyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)pent-2-enediamide (PubChem CID 123449583) has the molecular formula C27H46N4O2 and a molecular weight of 458.69 g/mol. Its IUPAC name is 4-methylidene-2-prop-1-enyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)pent-2-enediamide.

Molecular Properties

Compound Name4-methylidene-2-prop-1-enyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)pent-2-enediamide
PubChem CID123449583
Molecular FormulaC27H46N4O2
Molecular Weight458.69 g/mol
Exact Mass458.36
IUPAC Name4-methylidene-2-prop-1-enyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)pent-2-enediamide
SMILESC=C(C=C(C=CC)C(=O)NC1CC(C)(C)NC(C)(C)C1)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H46N4O2/c1-11-12-19(23(33)29-21-16-26(7,8)31-27(9,10)17-21)13-18(2)22(32)28-20-14-24(3,4)30-25(5,6)15-20/h11-13,20-21,30-31H,2,14-17H2,1,3-10H3,(H,28,32)(H,29,33)
InChIKeySDSBRGQFNAMQMK-UHFFFAOYSA-N
XLogP3.90
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.69
LogP ≤ 53.90
H-Bond Donors ≤ 54
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 4-methylidene-2-prop-1-enyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)pent-2-enediamide?
The IUPAC name of 4-methylidene-2-prop-1-enyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)pent-2-enediamide (CID 123449583) is 4-methylidene-2-prop-1-enyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)pent-2-enediamide.
What is the SMILES notation for 4-methylidene-2-prop-1-enyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)pent-2-enediamide?
The canonical SMILES for 4-methylidene-2-prop-1-enyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)pent-2-enediamide is C=C(C=C(C=CC)C(=O)NC1CC(C)(C)NC(C)(C)C1)C(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4-methylidene-2-prop-1-enyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)pent-2-enediamide?
The InChIKey is SDSBRGQFNAMQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46N4O2/c1-11-12-19(23(33)29-21-16-26(7,8)31-27(9,10)17-21)13-18(2)22(32)28-20-14-24(3,4)30-25(5,6)15-20/h11-13,20-21,30-31H,2,14-17H2,1,3-10H3,(H,28,32)(H,29,33).
What are the key properties of 4-methylidene-2-prop-1-enyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)pent-2-enediamide?
4-methylidene-2-prop-1-enyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)pent-2-enediamide has a molecular weight of 458.69 g/mol, XLogP of 3.90, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-2-prop-1-enyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)pent-2-enediamide is sourced from PubChem (CID 123449583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).