1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide

C52H84N8O4 — CID 158461970

IUPAC1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
SMILESCC1(C)CC(NC(=O)c2cccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c2)CC(C)(C)N1.CC1(C)CC(NC(=O)c2cccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c2)CC(C)(C)N1
InChIInChI=1S/2C26H42N4O2/c2*1-23(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/h2*9-12,19-20,29-30H,13-16H2,1-8H3,(H,27,31)(H,28,32)
InChIKeyHFHDWXCMRITCLU-UHFFFAOYSA-N
MW885.30 g/mol
LogP7.53
Rot. Bonds8

About 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide

1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide (PubChem CID 158461970) has the molecular formula C52H84N8O4 and a molecular weight of 885.30 g/mol. Its IUPAC name is 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
PubChem CID158461970
Molecular FormulaC52H84N8O4
Molecular Weight885.30 g/mol
Exact Mass884.66
IUPAC Name1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
SMILESCC1(C)CC(NC(=O)c2cccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c2)CC(C)(C)N1.CC1(C)CC(NC(=O)c2cccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c2)CC(C)(C)N1
InChIInChI=1S/2C26H42N4O2/c2*1-23(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/h2*9-12,19-20,29-30H,13-16H2,1-8H3,(H,27,31)(H,28,32)
InChIKeyHFHDWXCMRITCLU-UHFFFAOYSA-N
XLogP7.53
TPSA164.52 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500885.30
LogP ≤ 57.53
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

4-anilino-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679426
3-[(2-ethylanilino)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 84556584
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1,3-dicarboxamide
CID 162717936
4-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 17425450
5-hydroxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-3-carboxamide
CID 63859431
2,3-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 166350427
2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide;hydrochloride
CID 126477708
2-amino-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 61248466
3-chloro-4-(2-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67678992
3-iodo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide
CID 7332918
(E)-1,3-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-en-1-one
CID 18316782
5-bromo-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyran-3-carboxamide
CID 661226

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide (CID 158461970) is 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide is CC1(C)CC(NC(=O)c2cccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c2)CC(C)(C)N1.CC1(C)CC(NC(=O)c2cccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c2)CC(C)(C)N1.
What is the InChIKey of 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide?
The InChIKey is HFHDWXCMRITCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H42N4O2/c2*1-23(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/h2*9-12,19-20,29-30H,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)benzene-1,3-dicarboxamide?
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide has a molecular weight of 885.30 g/mol, XLogP of 7.53, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 158461970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).