(Z)-5-(ethylideneamino)-1-(4-methylpiperidin-1-yl)pent-4-en-1-one

C13H22N2O — CID 143244460

IUPAC(Z)-5-(ethylideneamino)-1-(4-methylpiperidin-1-yl)pent-4-en-1-one
SMILESC/C=N/C=C\CCC(=O)N1CCC(C)CC1
InChIInChI=1S/C13H22N2O/c1-3-14-9-5-4-6-13(16)15-10-7-12(2)8-11-15/h3,5,9,12H,4,6-8,10-11H2,1-2H3/b9-5-,14-3+
InChIKeyVVASJKPGWUUJIL-QYJJCOQBSA-N
MW222.33 g/mol
LogP2.63
Rot. Bonds4

About (Z)-5-(ethylideneamino)-1-(4-methylpiperidin-1-yl)pent-4-en-1-one

(Z)-5-(ethylideneamino)-1-(4-methylpiperidin-1-yl)pent-4-en-1-one (PubChem CID 143244460) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (Z)-5-(ethylideneamino)-1-(4-methylpiperidin-1-yl)pent-4-en-1-one.

Molecular Properties

Compound Name(Z)-5-(ethylideneamino)-1-(4-methylpiperidin-1-yl)pent-4-en-1-one
PubChem CID143244460
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(Z)-5-(ethylideneamino)-1-(4-methylpiperidin-1-yl)pent-4-en-1-one
SMILESC/C=N/C=C\CCC(=O)N1CCC(C)CC1
InChIInChI=1S/C13H22N2O/c1-3-14-9-5-4-6-13(16)15-10-7-12(2)8-11-15/h3,5,9,12H,4,6-8,10-11H2,1-2H3/b9-5-,14-3+
InChIKeyVVASJKPGWUUJIL-QYJJCOQBSA-N
XLogP2.63
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-5-(ethylideneamino)-1-(4-methylpiperidin-1-yl)pent-4-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(ethylideneamino)-1-(4-methylpiperidin-1-yl)pent-4-en-1-one?
The IUPAC name of (Z)-5-(ethylideneamino)-1-(4-methylpiperidin-1-yl)pent-4-en-1-one (CID 143244460) is (Z)-5-(ethylideneamino)-1-(4-methylpiperidin-1-yl)pent-4-en-1-one.
What is the SMILES notation for (Z)-5-(ethylideneamino)-1-(4-methylpiperidin-1-yl)pent-4-en-1-one?
The canonical SMILES for (Z)-5-(ethylideneamino)-1-(4-methylpiperidin-1-yl)pent-4-en-1-one is C/C=N/C=C\CCC(=O)N1CCC(C)CC1.
What is the InChIKey of (Z)-5-(ethylideneamino)-1-(4-methylpiperidin-1-yl)pent-4-en-1-one?
The InChIKey is VVASJKPGWUUJIL-QYJJCOQBSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-14-9-5-4-6-13(16)15-10-7-12(2)8-11-15/h3,5,9,12H,4,6-8,10-11H2,1-2H3/b9-5-,14-3+.
What are the key properties of (Z)-5-(ethylideneamino)-1-(4-methylpiperidin-1-yl)pent-4-en-1-one?
(Z)-5-(ethylideneamino)-1-(4-methylpiperidin-1-yl)pent-4-en-1-one has a molecular weight of 222.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(ethylideneamino)-1-(4-methylpiperidin-1-yl)pent-4-en-1-one is sourced from PubChem (CID 143244460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).