(2E,4E)-N-cyclohexyl-5-[3-(3-oxopropyl)piperidin-1-yl]-2-prop-1-en-2-ylhepta-2,4,6-trienamide

C24H36N2O2 — CID 89049855

IUPAC(2E,4E)-N-cyclohexyl-5-[3-(3-oxopropyl)piperidin-1-yl]-2-prop-1-en-2-ylhepta-2,4,6-trienamide
SMILESC=C/C(=C\C=C(/C(=C)C)C(=O)NC1CCCCC1)N1CCCC(CCC=O)C1
InChIInChI=1S/C24H36N2O2/c1-4-22(26-16-8-10-20(18-26)11-9-17-27)14-15-23(19(2)3)24(28)25-21-12-6-5-7-13-21/h4,14-15,17,20-21H,1-2,5-13,16,18H2,3H3,(H,25,28)/b22-14+,23-15+
InChIKeyFSNYEIQYUOJYLR-HOFJZWJUSA-N
MW384.56 g/mol
LogP4.70
Rot. Bonds9

About (2E,4E)-N-cyclohexyl-5-[3-(3-oxopropyl)piperidin-1-yl]-2-prop-1-en-2-ylhepta-2,4,6-trienamide

(2E,4E)-N-cyclohexyl-5-[3-(3-oxopropyl)piperidin-1-yl]-2-prop-1-en-2-ylhepta-2,4,6-trienamide (PubChem CID 89049855) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is (2E,4E)-N-cyclohexyl-5-[3-(3-oxopropyl)piperidin-1-yl]-2-prop-1-en-2-ylhepta-2,4,6-trienamide.

Molecular Properties

Compound Name(2E,4E)-N-cyclohexyl-5-[3-(3-oxopropyl)piperidin-1-yl]-2-prop-1-en-2-ylhepta-2,4,6-trienamide
PubChem CID89049855
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name(2E,4E)-N-cyclohexyl-5-[3-(3-oxopropyl)piperidin-1-yl]-2-prop-1-en-2-ylhepta-2,4,6-trienamide
SMILESC=C/C(=C\C=C(/C(=C)C)C(=O)NC1CCCCC1)N1CCCC(CCC=O)C1
InChIInChI=1S/C24H36N2O2/c1-4-22(26-16-8-10-20(18-26)11-9-17-27)14-15-23(19(2)3)24(28)25-21-12-6-5-7-13-21/h4,14-15,17,20-21H,1-2,5-13,16,18H2,3H3,(H,25,28)/b22-14+,23-15+
InChIKeyFSNYEIQYUOJYLR-HOFJZWJUSA-N
XLogP4.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 75462417
3-{1-[(2-Hydroxy-4,6-dimethylpyridin-3-yl)carbonyl]piperidin-3-yl}propanamide
CID 132426401
1-butyl-5-ethyl-N-(2-formylcyclohexyl)-2-oxo-6-propylpyridine-3-carboxamide
CID 87851268
N-[4-[1-(cyclohexanecarbonyl)piperidin-4-yl]butyl]pyrido[1,2-a]azepine-3-carboxamide
CID 123658564
4-[5,6-bis(ethenyl)-2-oxo-1H-pyridin-3-yl]piperidine-1-carbaldehyde;ethane
CID 145302268
4-[5,6-bis(ethenyl)-2-oxo-1H-pyridin-3-yl]piperidine-1-carbaldehyde;ethane
CID 145302298
(9Z)-9-[5-[(3Z)-hexa-1,3-dienyl]-6-methylidene-2-oxopiperidin-3-ylidene]-6-methyl-5-methylidenenon-6-enal
CID 155393200
4-(aminomethyl)-N-(4-formyl-2-methylcyclohexen-1-yl)cyclohexa-1,3-diene-1-carboxamide
CID 166830972
N,2-dimethyl-5-oxopentanamide;3-(2-methylbutyl)-1-piperidin-4-yl-4-prop-1-en-2-ylpyridin-2-one
CID 171497798
3-[(E)-1-[4-(cyclohexanecarbonyl)piperazin-1-yl]prop-1-enyl]-4-ethenylpyrrole-2,5-dione;N-methyl-5-oxopentanamide
CID 172604706
ethane;N-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-4-(prop-2-enoylamino)cyclohexane-1-carboxamide
CID 177358874
ethane;(4E)-5-(methylamino)-4-[(E)-1-(6-oxo-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-id-7-yl)prop-1-enyl]hepta-4,6-dienal;rhenium
CID 179070029

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-cyclohexyl-5-[3-(3-oxopropyl)piperidin-1-yl]-2-prop-1-en-2-ylhepta-2,4,6-trienamide?
The IUPAC name of (2E,4E)-N-cyclohexyl-5-[3-(3-oxopropyl)piperidin-1-yl]-2-prop-1-en-2-ylhepta-2,4,6-trienamide (CID 89049855) is (2E,4E)-N-cyclohexyl-5-[3-(3-oxopropyl)piperidin-1-yl]-2-prop-1-en-2-ylhepta-2,4,6-trienamide.
What is the SMILES notation for (2E,4E)-N-cyclohexyl-5-[3-(3-oxopropyl)piperidin-1-yl]-2-prop-1-en-2-ylhepta-2,4,6-trienamide?
The canonical SMILES for (2E,4E)-N-cyclohexyl-5-[3-(3-oxopropyl)piperidin-1-yl]-2-prop-1-en-2-ylhepta-2,4,6-trienamide is C=C/C(=C\C=C(/C(=C)C)C(=O)NC1CCCCC1)N1CCCC(CCC=O)C1.
What is the InChIKey of (2E,4E)-N-cyclohexyl-5-[3-(3-oxopropyl)piperidin-1-yl]-2-prop-1-en-2-ylhepta-2,4,6-trienamide?
The InChIKey is FSNYEIQYUOJYLR-HOFJZWJUSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-4-22(26-16-8-10-20(18-26)11-9-17-27)14-15-23(19(2)3)24(28)25-21-12-6-5-7-13-21/h4,14-15,17,20-21H,1-2,5-13,16,18H2,3H3,(H,25,28)/b22-14+,23-15+.
What are the key properties of (2E,4E)-N-cyclohexyl-5-[3-(3-oxopropyl)piperidin-1-yl]-2-prop-1-en-2-ylhepta-2,4,6-trienamide?
(2E,4E)-N-cyclohexyl-5-[3-(3-oxopropyl)piperidin-1-yl]-2-prop-1-en-2-ylhepta-2,4,6-trienamide has a molecular weight of 384.56 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-cyclohexyl-5-[3-(3-oxopropyl)piperidin-1-yl]-2-prop-1-en-2-ylhepta-2,4,6-trienamide is sourced from PubChem (CID 89049855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).