1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,5-diene-1,3-dicarboxamide

C26H44N4O2 — CID 90088024

IUPAC1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,5-diene-1,3-dicarboxamide
SMILESCC1(C)CC(NC(=O)C2=CC(C(=O)NC3CC(C)(C)NC(C)(C)C3)CC=C2)CC(C)(C)N1
InChIInChI=1S/C26H44N4O2/c1-23(2)13-19(14-24(3,4)29-23)27-21(31)17-10-9-11-18(12-17)22(32)28-20-15-25(5,6)30-26(7,8)16-20/h9-10,12,18-20,29-30H,11,13-16H2,1-8H3,(H,27,31)(H,28,32)
InChIKeyPUFBOBLWZQHPTD-UHFFFAOYSA-N
MW444.66 g/mol
LogP3.34
Rot. Bonds4

About 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,5-diene-1,3-dicarboxamide

1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,5-diene-1,3-dicarboxamide (PubChem CID 90088024) has the molecular formula C26H44N4O2 and a molecular weight of 444.66 g/mol. Its IUPAC name is 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,5-diene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,5-diene-1,3-dicarboxamide
PubChem CID90088024
Molecular FormulaC26H44N4O2
Molecular Weight444.66 g/mol
Exact Mass444.35
IUPAC Name1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,5-diene-1,3-dicarboxamide
SMILESCC1(C)CC(NC(=O)C2=CC(C(=O)NC3CC(C)(C)NC(C)(C)C3)CC=C2)CC(C)(C)N1
InChIInChI=1S/C26H44N4O2/c1-23(2)13-19(14-24(3,4)29-23)27-21(31)17-10-9-11-18(12-17)22(32)28-20-15-25(5,6)30-26(7,8)16-20/h9-10,12,18-20,29-30H,11,13-16H2,1-8H3,(H,27,31)(H,28,32)
InChIKeyPUFBOBLWZQHPTD-UHFFFAOYSA-N
XLogP3.34
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.66
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexene-1,2-dicarboxamide
CID 24870284
(E)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enediamide
CID 19367368
2-(2,2,6,6-tetramethylpiperidin-4-ylidene)-N-[6-[[2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetyl]amino]hexyl]acetamide
CID 22755875
2-(2,2,6,6-tetramethylpiperidin-4-ylidene)-N-[2-[[2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetyl]amino]ethyl]acetamide
CID 22755888
(E,4E)-4-[(Z)-but-2-enylidene]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)pent-2-enediamide
CID 89056324
(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
N-hexan-3-yl-4-[(1E)-2-(hexylcarbamoyl)buta-1,3-dienyl]cyclohexa-2,4-diene-1-carboxamide
CID 90362693
N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide
CID 91449221
2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)pent-3-enamide
CID 123147882
2-ethenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)penta-2,4-dienamide
CID 123232853
2-ethylidene-N-(2,2,6,6-tetramethylpiperidin-4-yl)hex-3-enamide
CID 123416590
4-methylidene-2-prop-1-enyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)pent-2-enediamide
CID 123449583

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,5-diene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,5-diene-1,3-dicarboxamide (CID 90088024) is 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,5-diene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,5-diene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,5-diene-1,3-dicarboxamide is CC1(C)CC(NC(=O)C2=CC(C(=O)NC3CC(C)(C)NC(C)(C)C3)CC=C2)CC(C)(C)N1.
What is the InChIKey of 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,5-diene-1,3-dicarboxamide?
The InChIKey is PUFBOBLWZQHPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N4O2/c1-23(2)13-19(14-24(3,4)29-23)27-21(31)17-10-9-11-18(12-17)22(32)28-20-15-25(5,6)30-26(7,8)16-20/h9-10,12,18-20,29-30H,11,13-16H2,1-8H3,(H,27,31)(H,28,32).
What are the key properties of 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,5-diene-1,3-dicarboxamide?
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,5-diene-1,3-dicarboxamide has a molecular weight of 444.66 g/mol, XLogP of 3.34, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,5-diene-1,3-dicarboxamide is sourced from PubChem (CID 90088024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).