(3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione

C23H29NO3 — CID 157477885

IUPAC(3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione
SMILESC=C1CC(=O)/C(=C\c2ccc(OCCCCC3CCCCC3)cc2)C(=O)N1
InChIInChI=1S/C23H29NO3/c1-17-15-22(25)21(23(26)24-17)16-19-10-12-20(13-11-19)27-14-6-5-9-18-7-3-2-4-8-18/h10-13,16,18H,1-9,14-15H2,(H,24,26)/b21-16+
InChIKeyJWPRQINPSOFXCC-LTGZKZEYSA-N
MW367.49 g/mol
LogP4.80
Rot. Bonds7

About (3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione

(3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione (PubChem CID 157477885) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione.

Molecular Properties

Compound Name(3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione
PubChem CID157477885
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione
SMILESC=C1CC(=O)/C(=C\c2ccc(OCCCCC3CCCCC3)cc2)C(=O)N1
InChIInChI=1S/C23H29NO3/c1-17-15-22(25)21(23(26)24-17)16-19-10-12-20(13-11-19)27-14-6-5-9-18-7-3-2-4-8-18/h10-13,16,18H,1-9,14-15H2,(H,24,26)/b21-16+
InChIKeyJWPRQINPSOFXCC-LTGZKZEYSA-N
XLogP4.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

5-[[3-chloro-4-(4-cyclohexylbutoxy)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 145432925
5-[[4-(4-cyclohexylbutoxy)-3-methoxy-5-methylphenyl]methylidene]-1,3-diazinane-2,4,6-trione;ethane
CID 145432975
5-[[4-(cyclohexylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 74993371
5-[[3-(4-cyclohexylbutoxy)-4-methylphenyl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione
CID 158078288
5-[[4-[5-[4-[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]pentoxy]phenoxy]pentoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 142633467
5-[[3-bromo-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[[3-chloro-4-(4-cyclohexylbutoxy)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;(3Z)-3-[[2-(4-cyclohexylbutoxy)-5-iodophenyl]methylidene]-6-methylidenepiperidine-2,4-dione;(3Z)-3-[[2-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;(3E)-3-[[4-(4-cyclohexylbutoxy)naphthalen-1-yl]methylidene]-6-methylidenepiperidine-2,4-dione;5-[[4-(4-cyclohexylbutoxy)-3-nitrophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 163707140
5-[[3-chloro-4-(3-cyclohexylpropoxy)phenyl]methylidene]-2-methylidene-1,3-diazinane-4,6-dione
CID 165058432
[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclopentylpropanoate
CID 130222606
(5Z)-5-[[4-(2-cyclohexylethoxy)-3-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 46836609
3-[4-[(Z)-(1,3-dioxoisoquinolin-4-ylidene)methyl]phenoxy]propanoic acid
CID 47046225
5-(7-cyclopentylheptoxy)-2-[4-(7-cyclopentylheptoxy)phenyl]pyrimidine
CID 19083536
5-[[4-(2-cyclohexylethoxy)-3-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione;ethane
CID 145432901

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione?
The IUPAC name of (3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione (CID 157477885) is (3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione.
What is the SMILES notation for (3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione?
The canonical SMILES for (3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione is C=C1CC(=O)/C(=C\c2ccc(OCCCCC3CCCCC3)cc2)C(=O)N1.
What is the InChIKey of (3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione?
The InChIKey is JWPRQINPSOFXCC-LTGZKZEYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-17-15-22(25)21(23(26)24-17)16-19-10-12-20(13-11-19)27-14-6-5-9-18-7-3-2-4-8-18/h10-13,16,18H,1-9,14-15H2,(H,24,26)/b21-16+.
What are the key properties of (3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione?
(3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione has a molecular weight of 367.49 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[4-(4-cyclohexylbutoxy)phenyl]methylidene]-6-methylidenepiperidine-2,4-dione is sourced from PubChem (CID 157477885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).