N-(2-ethylphenyl)-2-[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]acetamide

C20H27N3O2 — CID 9022241

IUPACN-(2-ethylphenyl)-2-[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]acetamide
SMILESC/C=C/C=C/C(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1
InChIInChI=1S/C20H27N3O2/c1-3-5-6-11-20(25)23-14-12-22(13-15-23)16-19(24)21-18-10-8-7-9-17(18)4-2/h3,5-11H,4,12-16H2,1-2H3,(H,21,24)/b5-3+,11-6+
InChIKeyLBGPOBSHEGCUIT-JFDBYLHYSA-N
MW341.46 g/mol
LogP2.46
Rot. Bonds6

About N-(2-ethylphenyl)-2-[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]acetamide (PubChem CID 9022241) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]acetamide
PubChem CID9022241
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-(2-ethylphenyl)-2-[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]acetamide
SMILESC/C=C/C=C/C(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1
InChIInChI=1S/C20H27N3O2/c1-3-5-6-11-20(25)23-14-12-22(13-15-23)16-19(24)21-18-10-8-7-9-17(18)4-2/h3,5-11H,4,12-16H2,1-2H3,(H,21,24)/b5-3+,11-6+
InChIKeyLBGPOBSHEGCUIT-JFDBYLHYSA-N
XLogP2.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
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

N-(2-ethylphenyl)-2-[4-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperazin-1-yl]acetamide
CID 9022461
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide
CID 60522003
2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022433
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833554
2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 42917736
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30969143
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833508
N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide
CID 9022351
2-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39762859

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]acetamide (CID 9022241) is N-(2-ethylphenyl)-2-[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]acetamide is C/C=C/C=C/C(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]acetamide?
The InChIKey is LBGPOBSHEGCUIT-JFDBYLHYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-5-6-11-20(25)23-14-12-22(13-15-23)16-19(24)21-18-10-8-7-9-17(18)4-2/h3,5-11H,4,12-16H2,1-2H3,(H,21,24)/b5-3+,11-6+.
What are the key properties of N-(2-ethylphenyl)-2-[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]acetamide has a molecular weight of 341.46 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-[(2E,4E)-hexa-2,4-dienoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9022241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).