(3E)-1-ethyl-3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]piperidin-4-one

C23H27NO3 — CID 110534738

IUPAC(3E)-1-ethyl-3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]piperidin-4-one
SMILESCCN1CCC(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1
InChIInChI=1S/C23H27NO3/c1-4-24-12-11-21(25)20(15-24)13-19-9-10-22(23(14-19)26-3)27-16-18-7-5-17(2)6-8-18/h5-10,13-14H,4,11-12,15-16H2,1-3H3/b20-13+
InChIKeyADXCKKALPRUGNX-DEDYPNTBSA-N
MW365.47 g/mol
LogP4.26
Rot. Bonds6

About (3E)-1-ethyl-3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]piperidin-4-one

(3E)-1-ethyl-3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]piperidin-4-one (PubChem CID 110534738) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is (3E)-1-ethyl-3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]piperidin-4-one.

Molecular Properties

Compound Name(3E)-1-ethyl-3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]piperidin-4-one
PubChem CID110534738
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name(3E)-1-ethyl-3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]piperidin-4-one
SMILESCCN1CCC(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1
InChIInChI=1S/C23H27NO3/c1-4-24-12-11-21(25)20(15-24)13-19-9-10-22(23(14-19)26-3)27-16-18-7-5-17(2)6-8-18/h5-10,13-14H,4,11-12,15-16H2,1-3H3/b20-13+
InChIKeyADXCKKALPRUGNX-DEDYPNTBSA-N
XLogP4.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[(3-methoxy-4-nonoxyphenyl)methylidene]-1-propylpiperidin-4-one
CID 110532361
(3E)-3-[(3-ethoxy-4-nonoxyphenyl)methylidene]-1-ethylpiperidin-4-one
CID 110532362
(3Z,5Z)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-ethylpiperidin-4-one
CID 92899824
(3E)-3-[(3-methoxy-4-pentoxyphenyl)methylidene]-1-methylpiperidin-4-one
CID 110537750
(5Z)-2-(azepan-1-yl)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one
CID 21369741
(4E)-4-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 44807683
(2Z)-2-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1-benzothiophen-3-one
CID 126342381
(5E)-3-(2-methoxyethyl)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126142008
(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126246397
5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 2910834
(5E)-5-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126257097
(5E)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione
CID 126235784

Frequently Asked Questions

What is the IUPAC name of (3E)-1-ethyl-3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]piperidin-4-one?
The IUPAC name of (3E)-1-ethyl-3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]piperidin-4-one (CID 110534738) is (3E)-1-ethyl-3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]piperidin-4-one.
What is the SMILES notation for (3E)-1-ethyl-3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]piperidin-4-one?
The canonical SMILES for (3E)-1-ethyl-3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]piperidin-4-one is CCN1CCC(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1.
What is the InChIKey of (3E)-1-ethyl-3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]piperidin-4-one?
The InChIKey is ADXCKKALPRUGNX-DEDYPNTBSA-N. The full InChI is InChI=1S/C23H27NO3/c1-4-24-12-11-21(25)20(15-24)13-19-9-10-22(23(14-19)26-3)27-16-18-7-5-17(2)6-8-18/h5-10,13-14H,4,11-12,15-16H2,1-3H3/b20-13+.
What are the key properties of (3E)-1-ethyl-3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]piperidin-4-one?
(3E)-1-ethyl-3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]piperidin-4-one has a molecular weight of 365.47 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-ethyl-3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]piperidin-4-one is sourced from PubChem (CID 110534738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).