N-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-piperidin-1-ylbenzamide

C23H26N2O3 — CID 91371366

IUPACN-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-piperidin-1-ylbenzamide
SMILESO=C(NC1=COC=C(CC2=CC=CCC2)O1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H26N2O3/c26-23(19-9-11-20(12-10-19)25-13-5-2-6-14-25)24-22-17-27-16-21(28-22)15-18-7-3-1-4-8-18/h1,3,7,9-12,16-17H,2,4-6,8,13-15H2,(H,24,26)
InChIKeyNKKAERAYTXKCIX-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.76
Rot. Bonds5

About N-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-piperidin-1-ylbenzamide

N-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-piperidin-1-ylbenzamide (PubChem CID 91371366) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-piperidin-1-ylbenzamide
PubChem CID91371366
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-piperidin-1-ylbenzamide
SMILESO=C(NC1=COC=C(CC2=CC=CCC2)O1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H26N2O3/c26-23(19-9-11-20(12-10-19)25-13-5-2-6-14-25)24-22-17-27-16-21(28-22)15-18-7-3-1-4-8-18/h1,3,7,9-12,16-17H,2,4-6,8,13-15H2,(H,24,26)
InChIKeyNKKAERAYTXKCIX-UHFFFAOYSA-N
XLogP4.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-piperidin-1-ylbenzamide with MolForge

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Related Compounds

1-cyclohexa-1,3-dien-1-yl-5-(4-piperidin-1-ylphenyl)pentan-3-one;ethane
CID 142354542
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
4-pyrrolidin-1-ylbenzohydrazide;hydrochloride
CID 163230065
6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-oxazine-2,4-dicarboxylic acid
CID 91440135
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
N-(4-ethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282362
5-(aminomethyl)-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one
CID 91357095
4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide
CID 21368177
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
N-(furan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 53282405

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-piperidin-1-ylbenzamide (CID 91371366) is N-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-piperidin-1-ylbenzamide is O=C(NC1=COC=C(CC2=CC=CCC2)O1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-piperidin-1-ylbenzamide?
The InChIKey is NKKAERAYTXKCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-23(19-9-11-20(12-10-19)25-13-5-2-6-14-25)24-22-17-27-16-21(28-22)15-18-7-3-1-4-8-18/h1,3,7,9-12,16-17H,2,4-6,8,13-15H2,(H,24,26).
What are the key properties of N-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-piperidin-1-ylbenzamide?
N-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-piperidin-1-ylbenzamide has a molecular weight of 378.47 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 91371366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).