(3Z)-6-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide

C23H36N4O2 — CID 144747546

IUPAC(3Z)-6-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1cc(C)c(C(=O)NCCN2CCOCC2)c/c1=C/N(C)CC1CCNCC1
InChIInChI=1S/C23H36N4O2/c1-18-14-19(2)22(23(28)25-8-9-27-10-12-29-13-11-27)15-21(18)17-26(3)16-20-4-6-24-7-5-20/h14-15,17,20,24H,1,4-13,16H2,2-3H3,(H,25,28)/b21-17-
InChIKeyNEEOITIHMLILOF-FXBPSFAMSA-N
MW400.57 g/mol
LogP0.14
Rot. Bonds7

About (3Z)-6-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide

(3Z)-6-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 144747546) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is (3Z)-6-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name(3Z)-6-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
PubChem CID144747546
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name(3Z)-6-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1cc(C)c(C(=O)NCCN2CCOCC2)c/c1=C/N(C)CC1CCNCC1
InChIInChI=1S/C23H36N4O2/c1-18-14-19(2)22(23(28)25-8-9-27-10-12-29-13-11-27)15-21(18)17-26(3)16-20-4-6-24-7-5-20/h14-15,17,20,24H,1,4-13,16H2,2-3H3,(H,25,28)/b21-17-
InChIKeyNEEOITIHMLILOF-FXBPSFAMSA-N
XLogP0.14
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3Z)-6-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z)-6-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of (3Z)-6-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide (CID 144747546) is (3Z)-6-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for (3Z)-6-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for (3Z)-6-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide is C=c1cc(C)c(C(=O)NCCN2CCOCC2)c/c1=C/N(C)CC1CCNCC1.
What is the InChIKey of (3Z)-6-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is NEEOITIHMLILOF-FXBPSFAMSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-18-14-19(2)22(23(28)25-8-9-27-10-12-29-13-11-27)15-21(18)17-26(3)16-20-4-6-24-7-5-20/h14-15,17,20,24H,1,4-13,16H2,2-3H3,(H,25,28)/b21-17-.
What are the key properties of (3Z)-6-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
(3Z)-6-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 400.57 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 144747546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).