5-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylethyl)penta-2,4-dienamide

C17H21Cl2N3O — CID 85073781

IUPAC5-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylethyl)penta-2,4-dienamide
SMILESO=C(C=CC=Cc1ccc(Cl)c(Cl)c1)NCCN1CCNCC1
InChIInChI=1S/C17H21Cl2N3O/c18-15-6-5-14(13-16(15)19)3-1-2-4-17(23)21-9-12-22-10-7-20-8-11-22/h1-6,13,20H,7-12H2,(H,21,23)
InChIKeyDHWCZDSDXFEEOE-UHFFFAOYSA-N
MW354.28 g/mol
LogP2.58
Rot. Bonds6

About 5-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylethyl)penta-2,4-dienamide

5-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylethyl)penta-2,4-dienamide (PubChem CID 85073781) has the molecular formula C17H21Cl2N3O and a molecular weight of 354.28 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylethyl)penta-2,4-dienamide.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylethyl)penta-2,4-dienamide
PubChem CID85073781
Molecular FormulaC17H21Cl2N3O
Molecular Weight354.28 g/mol
Exact Mass353.11
IUPAC Name5-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylethyl)penta-2,4-dienamide
SMILESO=C(C=CC=Cc1ccc(Cl)c(Cl)c1)NCCN1CCNCC1
InChIInChI=1S/C17H21Cl2N3O/c18-15-6-5-14(13-16(15)19)3-1-2-4-17(23)21-9-12-22-10-7-20-8-11-22/h1-6,13,20H,7-12H2,(H,21,23)
InChIKeyDHWCZDSDXFEEOE-UHFFFAOYSA-N
XLogP2.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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
(E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 43600248
(E)-3-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 43600198
(E)-3-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide
CID 43443260
(E)-3-(3-chloro-4-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide
CID 38756154
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)penta-2,4-dienamide
CID 101018068
(E)-3-(4-chlorophenyl)-N-[5-[4-[3-(3,4-dichlorophenyl)prop-2-enoyl]piperazin-1-yl]pentyl]prop-2-enamide
CID 44529356
(E)-3-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43417822
3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 4676391
(E)-3-(3-chlorophenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide
CID 47209384
(E)-N-[3-[1-[5-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]pentyl]piperidin-4-yl]propyl]-3-phenylprop-2-enamide
CID 45481261
5-(3,5-dichloro-4-hydroxyphenyl)-N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]penta-2,4-dienamide
CID 54305331

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylethyl)penta-2,4-dienamide?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylethyl)penta-2,4-dienamide (CID 85073781) is 5-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylethyl)penta-2,4-dienamide.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylethyl)penta-2,4-dienamide?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylethyl)penta-2,4-dienamide is O=C(C=CC=Cc1ccc(Cl)c(Cl)c1)NCCN1CCNCC1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylethyl)penta-2,4-dienamide?
The InChIKey is DHWCZDSDXFEEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O/c18-15-6-5-14(13-16(15)19)3-1-2-4-17(23)21-9-12-22-10-7-20-8-11-22/h1-6,13,20H,7-12H2,(H,21,23).
What are the key properties of 5-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylethyl)penta-2,4-dienamide?
5-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylethyl)penta-2,4-dienamide has a molecular weight of 354.28 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylethyl)penta-2,4-dienamide is sourced from PubChem (CID 85073781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).