(2E,4E)-1-(4-heptylcyclohexyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one

C24H41NO — CID 19867255

IUPAC(2E,4E)-1-(4-heptylcyclohexyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one
SMILESCCCCCCCC1CCC(C(=O)/C=C/C(C)=C/N2CCCCC2)CC1
InChIInChI=1S/C24H41NO/c1-3-4-5-6-8-11-22-13-15-23(16-14-22)24(26)17-12-21(2)20-25-18-9-7-10-19-25/h12,17,20,22-23H,3-11,13-16,18-19H2,1-2H3/b17-12+,21-20+
InChIKeyWNSWLCKNLQYXGX-UCEMORSKSA-N
MW359.60 g/mol
LogP6.67
Rot. Bonds10

About (2E,4E)-1-(4-heptylcyclohexyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one

(2E,4E)-1-(4-heptylcyclohexyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one (PubChem CID 19867255) has the molecular formula C24H41NO and a molecular weight of 359.60 g/mol. Its IUPAC name is (2E,4E)-1-(4-heptylcyclohexyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-1-(4-heptylcyclohexyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one
PubChem CID19867255
Molecular FormulaC24H41NO
Molecular Weight359.60 g/mol
Exact Mass359.32
IUPAC Name(2E,4E)-1-(4-heptylcyclohexyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one
SMILESCCCCCCCC1CCC(C(=O)/C=C/C(C)=C/N2CCCCC2)CC1
InChIInChI=1S/C24H41NO/c1-3-4-5-6-8-11-22-13-15-23(16-14-22)24(26)17-12-21(2)20-25-18-9-7-10-19-25/h12,17,20,22-23H,3-11,13-16,18-19H2,1-2H3/b17-12+,21-20+
InChIKeyWNSWLCKNLQYXGX-UCEMORSKSA-N
XLogP6.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.60
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4E)-1-(4-heptylcyclohexyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-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 (2E,4E)-1-(4-heptylcyclohexyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one?
The IUPAC name of (2E,4E)-1-(4-heptylcyclohexyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one (CID 19867255) is (2E,4E)-1-(4-heptylcyclohexyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-1-(4-heptylcyclohexyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-1-(4-heptylcyclohexyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one is CCCCCCCC1CCC(C(=O)/C=C/C(C)=C/N2CCCCC2)CC1.
What is the InChIKey of (2E,4E)-1-(4-heptylcyclohexyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one?
The InChIKey is WNSWLCKNLQYXGX-UCEMORSKSA-N. The full InChI is InChI=1S/C24H41NO/c1-3-4-5-6-8-11-22-13-15-23(16-14-22)24(26)17-12-21(2)20-25-18-9-7-10-19-25/h12,17,20,22-23H,3-11,13-16,18-19H2,1-2H3/b17-12+,21-20+.
What are the key properties of (2E,4E)-1-(4-heptylcyclohexyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one?
(2E,4E)-1-(4-heptylcyclohexyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one has a molecular weight of 359.60 g/mol, XLogP of 6.67, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-(4-heptylcyclohexyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one is sourced from PubChem (CID 19867255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).