1-[(3E,5E)-6-aminohepta-1,3,5-trien-3-yl]piperidin-4-one;ethane

C14H24N2O — CID 142109087

IUPAC1-[(3E,5E)-6-aminohepta-1,3,5-trien-3-yl]piperidin-4-one;ethane
SMILESC=C/C(=C\C=C(/C)N)N1CCC(=O)CC1.CC
InChIInChI=1S/C12H18N2O.C2H6/c1-3-11(5-4-10(2)13)14-8-6-12(15)7-9-14;1-2/h3-5H,1,6-9,13H2,2H3;1-2H3/b10-4+,11-5+;
InChIKeyUFPXIXSANIQHDC-DVHWKNMOSA-N
MW236.36 g/mol
LogP2.61
Rot. Bonds3

About 1-[(3E,5E)-6-aminohepta-1,3,5-trien-3-yl]piperidin-4-one;ethane

1-[(3E,5E)-6-aminohepta-1,3,5-trien-3-yl]piperidin-4-one;ethane (PubChem CID 142109087) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[(3E,5E)-6-aminohepta-1,3,5-trien-3-yl]piperidin-4-one;ethane.

Molecular Properties

Compound Name1-[(3E,5E)-6-aminohepta-1,3,5-trien-3-yl]piperidin-4-one;ethane
PubChem CID142109087
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[(3E,5E)-6-aminohepta-1,3,5-trien-3-yl]piperidin-4-one;ethane
SMILESC=C/C(=C\C=C(/C)N)N1CCC(=O)CC1.CC
InChIInChI=1S/C12H18N2O.C2H6/c1-3-11(5-4-10(2)13)14-8-6-12(15)7-9-14;1-2/h3-5H,1,6-9,13H2,2H3;1-2H3/b10-4+,11-5+;
InChIKeyUFPXIXSANIQHDC-DVHWKNMOSA-N
XLogP2.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(3E,5E)-6-aminohepta-1,3,5-trien-3-yl]piperidin-4-one;ethane with MolForge

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Related Compounds

1-acetylpiperidin-4-one;ethane
CID 91328133
ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one
CID 142088727
4-oxopiperidine-1-carboximidamide
CID 19089226
ethyl 4-oxopiperidine-1-carboxylate;methane
CID 143127714
4-oxo-N-prop-2-enylpiperidine-1-carbothioamide
CID 130628814
1-(4-oxopiperidine-1-carbonyl)piperidin-4-one
CID 162120137
(2E,4E)-N,2-dimethyl-5-morpholin-4-ylhepta-2,4,6-trien-1-amine
CID 143114266
1-[(Z)-4,4-dimethylpent-2-enoyl]piperidin-4-one
CID 143407668
1-hexa-1,3,5-trien-3-yl-4-nitrosopiperidine
CID 123619556
prop-2-enyl 3-oxopyrrolidine-1-carboxylate
CID 15117217
2-[butyl-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]amino]acetamide
CID 62050745
cyclopropanone;ethane
CID 90860291

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5E)-6-aminohepta-1,3,5-trien-3-yl]piperidin-4-one;ethane?
The IUPAC name of 1-[(3E,5E)-6-aminohepta-1,3,5-trien-3-yl]piperidin-4-one;ethane (CID 142109087) is 1-[(3E,5E)-6-aminohepta-1,3,5-trien-3-yl]piperidin-4-one;ethane.
What is the SMILES notation for 1-[(3E,5E)-6-aminohepta-1,3,5-trien-3-yl]piperidin-4-one;ethane?
The canonical SMILES for 1-[(3E,5E)-6-aminohepta-1,3,5-trien-3-yl]piperidin-4-one;ethane is C=C/C(=C\C=C(/C)N)N1CCC(=O)CC1.CC.
What is the InChIKey of 1-[(3E,5E)-6-aminohepta-1,3,5-trien-3-yl]piperidin-4-one;ethane?
The InChIKey is UFPXIXSANIQHDC-DVHWKNMOSA-N. The full InChI is InChI=1S/C12H18N2O.C2H6/c1-3-11(5-4-10(2)13)14-8-6-12(15)7-9-14;1-2/h3-5H,1,6-9,13H2,2H3;1-2H3/b10-4+,11-5+;.
What are the key properties of 1-[(3E,5E)-6-aminohepta-1,3,5-trien-3-yl]piperidin-4-one;ethane?
1-[(3E,5E)-6-aminohepta-1,3,5-trien-3-yl]piperidin-4-one;ethane has a molecular weight of 236.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5E)-6-aminohepta-1,3,5-trien-3-yl]piperidin-4-one;ethane is sourced from PubChem (CID 142109087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).