ethane;(2E)-1-morpholin-4-yl-2-[(E)-2-piperidin-4-ylethenyl]penta-2,4-dien-1-one

C18H30N2O2 — CID 143791717

IUPACethane;(2E)-1-morpholin-4-yl-2-[(E)-2-piperidin-4-ylethenyl]penta-2,4-dien-1-one
SMILESC=C/C=C(\C=C\C1CCNCC1)C(=O)N1CCOCC1.CC
InChIInChI=1S/C16H24N2O2.C2H6/c1-2-3-15(5-4-14-6-8-17-9-7-14)16(19)18-10-12-20-13-11-18;1-2/h2-5,14,17H,1,6-13H2;1-2H3/b5-4+,15-3+;
InChIKeyZSZQEBWECQWBJB-OGSYDDRGSA-N
MW306.45 g/mol
LogP2.54
Rot. Bonds4

About ethane;(2E)-1-morpholin-4-yl-2-[(E)-2-piperidin-4-ylethenyl]penta-2,4-dien-1-one

ethane;(2E)-1-morpholin-4-yl-2-[(E)-2-piperidin-4-ylethenyl]penta-2,4-dien-1-one (PubChem CID 143791717) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is ethane;(2E)-1-morpholin-4-yl-2-[(E)-2-piperidin-4-ylethenyl]penta-2,4-dien-1-one.

Molecular Properties

Compound Nameethane;(2E)-1-morpholin-4-yl-2-[(E)-2-piperidin-4-ylethenyl]penta-2,4-dien-1-one
PubChem CID143791717
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Nameethane;(2E)-1-morpholin-4-yl-2-[(E)-2-piperidin-4-ylethenyl]penta-2,4-dien-1-one
SMILESC=C/C=C(\C=C\C1CCNCC1)C(=O)N1CCOCC1.CC
InChIInChI=1S/C16H24N2O2.C2H6/c1-2-3-15(5-4-14-6-8-17-9-7-14)16(19)18-10-12-20-13-11-18;1-2/h2-5,14,17H,1,6-13H2;1-2H3/b5-4+,15-3+;
InChIKeyZSZQEBWECQWBJB-OGSYDDRGSA-N
XLogP2.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 144747424
6-fluoro-4-methyl-N-(3-morpholin-4-ylpropyl)cyclohexa-1,5-diene-1-carboxamide
CID 163601672
(3E)-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 145584565
N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
CID 67961870
N-[4-(2,6-dimethylmorpholine-4-carbonyl)cyclohexa-2,4-dien-1-yl]-5-(methylamino)pentanamide
CID 70974395
N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide
CID 71047338
(4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
CID 71170886
(2Z,3E,5Z)-2-ethylidene-N-[(1-methylpiperidin-4-yl)methyl]-4-(morpholin-4-ylmethyl)hepta-3,5-dienamide
CID 89049413
N-[1-(2-methoxyethyl)piperidin-4-yl]cyclohexa-1,5-diene-1-carboxamide
CID 91487200
3-methyl-N-(2-morpholin-4-ylethyl)-7-(2-piperidin-4-ylethylidene)-6H-naphthalene-2-carboxamide
CID 123163771
3,9-dimethyl-N-(2-morpholin-4-ylethyl)-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123255940
N-(2-methoxyethyl)-3,9-dimethyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123257785

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-1-morpholin-4-yl-2-[(E)-2-piperidin-4-ylethenyl]penta-2,4-dien-1-one?
The IUPAC name of ethane;(2E)-1-morpholin-4-yl-2-[(E)-2-piperidin-4-ylethenyl]penta-2,4-dien-1-one (CID 143791717) is ethane;(2E)-1-morpholin-4-yl-2-[(E)-2-piperidin-4-ylethenyl]penta-2,4-dien-1-one.
What is the SMILES notation for ethane;(2E)-1-morpholin-4-yl-2-[(E)-2-piperidin-4-ylethenyl]penta-2,4-dien-1-one?
The canonical SMILES for ethane;(2E)-1-morpholin-4-yl-2-[(E)-2-piperidin-4-ylethenyl]penta-2,4-dien-1-one is C=C/C=C(\C=C\C1CCNCC1)C(=O)N1CCOCC1.CC.
What is the InChIKey of ethane;(2E)-1-morpholin-4-yl-2-[(E)-2-piperidin-4-ylethenyl]penta-2,4-dien-1-one?
The InChIKey is ZSZQEBWECQWBJB-OGSYDDRGSA-N. The full InChI is InChI=1S/C16H24N2O2.C2H6/c1-2-3-15(5-4-14-6-8-17-9-7-14)16(19)18-10-12-20-13-11-18;1-2/h2-5,14,17H,1,6-13H2;1-2H3/b5-4+,15-3+;.
What are the key properties of ethane;(2E)-1-morpholin-4-yl-2-[(E)-2-piperidin-4-ylethenyl]penta-2,4-dien-1-one?
ethane;(2E)-1-morpholin-4-yl-2-[(E)-2-piperidin-4-ylethenyl]penta-2,4-dien-1-one has a molecular weight of 306.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-1-morpholin-4-yl-2-[(E)-2-piperidin-4-ylethenyl]penta-2,4-dien-1-one is sourced from PubChem (CID 143791717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).