(2E,4E)-6-(3,4-dichlorophenyl)-N-(3-piperidin-1-ylpropyl)hexa-2,4-dienamide

C20H26Cl2N2O — CID 10110361

IUPAC(2E,4E)-6-(3,4-dichlorophenyl)-N-(3-piperidin-1-ylpropyl)hexa-2,4-dienamide
SMILESO=C(/C=C/C=C/Cc1ccc(Cl)c(Cl)c1)NCCCN1CCCCC1
InChIInChI=1S/C20H26Cl2N2O/c21-18-11-10-17(16-19(18)22)8-3-1-4-9-20(25)23-12-7-15-24-13-5-2-6-14-24/h1,3-4,9-11,16H,2,5-8,12-15H2,(H,23,25)/b3-1+,9-4+
InChIKeyIGYZIUZTLVFLKS-PTESOZBDSA-N
MW381.35 g/mol
LogP4.64
Rot. Bonds8

About (2E,4E)-6-(3,4-dichlorophenyl)-N-(3-piperidin-1-ylpropyl)hexa-2,4-dienamide

(2E,4E)-6-(3,4-dichlorophenyl)-N-(3-piperidin-1-ylpropyl)hexa-2,4-dienamide (PubChem CID 10110361) has the molecular formula C20H26Cl2N2O and a molecular weight of 381.35 g/mol. Its IUPAC name is (2E,4E)-6-(3,4-dichlorophenyl)-N-(3-piperidin-1-ylpropyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-6-(3,4-dichlorophenyl)-N-(3-piperidin-1-ylpropyl)hexa-2,4-dienamide
PubChem CID10110361
Molecular FormulaC20H26Cl2N2O
Molecular Weight381.35 g/mol
Exact Mass380.14
IUPAC Name(2E,4E)-6-(3,4-dichlorophenyl)-N-(3-piperidin-1-ylpropyl)hexa-2,4-dienamide
SMILESO=C(/C=C/C=C/Cc1ccc(Cl)c(Cl)c1)NCCCN1CCCCC1
InChIInChI=1S/C20H26Cl2N2O/c21-18-11-10-17(16-19(18)22)8-3-1-4-9-20(25)23-12-7-15-24-13-5-2-6-14-24/h1,3-4,9-11,16H,2,5-8,12-15H2,(H,23,25)/b3-1+,9-4+
InChIKeyIGYZIUZTLVFLKS-PTESOZBDSA-N
XLogP4.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.64
H-Bond Donors ≤ 51
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'}

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Related Compounds

(2E,4E)-5-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)penta-2,4-dienamide
CID 10270426
N-[3-(azepan-1-yl)propyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 99951347
(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide
CID 110440064
N-[3-(azepan-1-yl)propyl]-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 76858426
(E)-3-(2,6-dichlorophenyl)-N-(4-morpholin-4-ylbutyl)prop-2-enamide
CID 51116604
5-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylethyl)penta-2,4-dienamide
CID 85073781
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide
CID 110440779
N-[3-(azepan-1-yl)propyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 76858477
1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 558444
(E)-3-(4-chlorophenyl)-N-[3-[4-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 6034169
N-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide
CID 112764661

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6-(3,4-dichlorophenyl)-N-(3-piperidin-1-ylpropyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-6-(3,4-dichlorophenyl)-N-(3-piperidin-1-ylpropyl)hexa-2,4-dienamide (CID 10110361) is (2E,4E)-6-(3,4-dichlorophenyl)-N-(3-piperidin-1-ylpropyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-6-(3,4-dichlorophenyl)-N-(3-piperidin-1-ylpropyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-6-(3,4-dichlorophenyl)-N-(3-piperidin-1-ylpropyl)hexa-2,4-dienamide is O=C(/C=C/C=C/Cc1ccc(Cl)c(Cl)c1)NCCCN1CCCCC1.
What is the InChIKey of (2E,4E)-6-(3,4-dichlorophenyl)-N-(3-piperidin-1-ylpropyl)hexa-2,4-dienamide?
The InChIKey is IGYZIUZTLVFLKS-PTESOZBDSA-N. The full InChI is InChI=1S/C20H26Cl2N2O/c21-18-11-10-17(16-19(18)22)8-3-1-4-9-20(25)23-12-7-15-24-13-5-2-6-14-24/h1,3-4,9-11,16H,2,5-8,12-15H2,(H,23,25)/b3-1+,9-4+.
What are the key properties of (2E,4E)-6-(3,4-dichlorophenyl)-N-(3-piperidin-1-ylpropyl)hexa-2,4-dienamide?
(2E,4E)-6-(3,4-dichlorophenyl)-N-(3-piperidin-1-ylpropyl)hexa-2,4-dienamide has a molecular weight of 381.35 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-(3,4-dichlorophenyl)-N-(3-piperidin-1-ylpropyl)hexa-2,4-dienamide is sourced from PubChem (CID 10110361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).