N-[(1E,3E)-4-(4-morpholin-4-ylpiperidin-1-yl)-1-nitropenta-1,3-dienyl]methanimine

C15H24N4O3 — CID 129064982

IUPACN-[(1E,3E)-4-(4-morpholin-4-ylpiperidin-1-yl)-1-nitropenta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C(/C)N1CCC(N2CCOCC2)CC1)[N+](=O)[O-]
InChIInChI=1S/C15H24N4O3/c1-13(3-4-15(16-2)19(20)21)17-7-5-14(6-8-17)18-9-11-22-12-10-18/h3-4,14H,2,5-12H2,1H3/b13-3+,15-4+
InChIKeyNRSLMNYWSAHPIJ-UWCGVHETSA-N
MW308.38 g/mol
LogP1.51
Rot. Bonds5

About N-[(1E,3E)-4-(4-morpholin-4-ylpiperidin-1-yl)-1-nitropenta-1,3-dienyl]methanimine

N-[(1E,3E)-4-(4-morpholin-4-ylpiperidin-1-yl)-1-nitropenta-1,3-dienyl]methanimine (PubChem CID 129064982) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(1E,3E)-4-(4-morpholin-4-ylpiperidin-1-yl)-1-nitropenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3E)-4-(4-morpholin-4-ylpiperidin-1-yl)-1-nitropenta-1,3-dienyl]methanimine
PubChem CID129064982
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-[(1E,3E)-4-(4-morpholin-4-ylpiperidin-1-yl)-1-nitropenta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C(/C)N1CCC(N2CCOCC2)CC1)[N+](=O)[O-]
InChIInChI=1S/C15H24N4O3/c1-13(3-4-15(16-2)19(20)21)17-7-5-14(6-8-17)18-9-11-22-12-10-18/h3-4,14H,2,5-12H2,1H3/b13-3+,15-4+
InChIKeyNRSLMNYWSAHPIJ-UWCGVHETSA-N
XLogP1.51
TPSA71.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(4-morpholin-4-ylpiperidin-1-yl)prop-1-enyl]acetamide
CID 142187269
4-morpholin-4-ylpiperidine-1-carbonyl chloride
CID 15700344
(2R)-2-amino-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one
CID 129371509
2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 64593046
2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 64592238
4-cyclopropylmorpholine;ethane
CID 155594914
1-(4-morpholin-4-ylcyclohexyl)ethanone
CID 58356036
ethane;4-morpholin-4-ylpiperidine-1-carbaldehyde
CID 142506557
2-(dimethylamino)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone;methane
CID 168941007
(sulfonylamino) 4-morpholin-4-ylpiperidine-1-carboxylate
CID 175338266
4-[1-(3,5-dimethyl-4-nitrophenyl)piperidin-4-yl]morpholine
CID 144594517
(1E,3Z)-2-(4-morpholin-4-ylpiperidin-1-yl)hexa-1,3,5-triene-1,5-diamine
CID 87688572

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-4-(4-morpholin-4-ylpiperidin-1-yl)-1-nitropenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3E)-4-(4-morpholin-4-ylpiperidin-1-yl)-1-nitropenta-1,3-dienyl]methanimine (CID 129064982) is N-[(1E,3E)-4-(4-morpholin-4-ylpiperidin-1-yl)-1-nitropenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3E)-4-(4-morpholin-4-ylpiperidin-1-yl)-1-nitropenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3E)-4-(4-morpholin-4-ylpiperidin-1-yl)-1-nitropenta-1,3-dienyl]methanimine is C=N/C(=C\C=C(/C)N1CCC(N2CCOCC2)CC1)[N+](=O)[O-].
What is the InChIKey of N-[(1E,3E)-4-(4-morpholin-4-ylpiperidin-1-yl)-1-nitropenta-1,3-dienyl]methanimine?
The InChIKey is NRSLMNYWSAHPIJ-UWCGVHETSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-13(3-4-15(16-2)19(20)21)17-7-5-14(6-8-17)18-9-11-22-12-10-18/h3-4,14H,2,5-12H2,1H3/b13-3+,15-4+.
What are the key properties of N-[(1E,3E)-4-(4-morpholin-4-ylpiperidin-1-yl)-1-nitropenta-1,3-dienyl]methanimine?
N-[(1E,3E)-4-(4-morpholin-4-ylpiperidin-1-yl)-1-nitropenta-1,3-dienyl]methanimine has a molecular weight of 308.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-4-(4-morpholin-4-ylpiperidin-1-yl)-1-nitropenta-1,3-dienyl]methanimine is sourced from PubChem (CID 129064982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).