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

C25H43N3O — CID 91449221

IUPACN,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide
SMILESCC1(C)CC(N(C(=O)C2=CC=CCC2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C25H43N3O/c1-22(2)14-19(15-23(3,4)26-22)28(21(29)18-12-10-9-11-13-18)20-16-24(5,6)27-25(7,8)17-20/h9-10,12,19-20,26-27H,11,13-17H2,1-8H3
InChIKeyIXUSRKZWBUKNPS-UHFFFAOYSA-N
MW401.64 g/mol
LogP4.71
Rot. Bonds3

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

N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 91449221) has the molecular formula C25H43N3O and a molecular weight of 401.64 g/mol. Its IUPAC name is N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID91449221
Molecular FormulaC25H43N3O
Molecular Weight401.64 g/mol
Exact Mass401.34
IUPAC NameN,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide
SMILESCC1(C)CC(N(C(=O)C2=CC=CCC2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C25H43N3O/c1-22(2)14-19(15-23(3,4)26-22)28(21(29)18-12-10-9-11-13-18)20-16-24(5,6)27-25(7,8)17-20/h9-10,12,19-20,26-27H,11,13-17H2,1-8H3
InChIKeyIXUSRKZWBUKNPS-UHFFFAOYSA-N
XLogP4.71
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.64
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide (CID 91449221) is N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide is CC1(C)CC(N(C(=O)C2=CC=CCC2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is IXUSRKZWBUKNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N3O/c1-22(2)14-19(15-23(3,4)26-22)28(21(29)18-12-10-9-11-13-18)20-16-24(5,6)27-25(7,8)17-20/h9-10,12,19-20,26-27H,11,13-17H2,1-8H3.
What are the key properties of N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide?
N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 401.64 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 91449221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).