2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide

C22H29N3O2 — CID 17395764

IUPAC2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)C2CC3C=CC2C3)CC1
InChIInChI=1S/C22H29N3O2/c1-2-17-5-3-4-6-20(17)23-21(26)15-24-9-11-25(12-10-24)22(27)19-14-16-7-8-18(19)13-16/h3-8,16,18-19H,2,9-15H2,1H3,(H,23,26)
InChIKeyZTBTUXJEIISJIJ-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.54
Rot. Bonds5

About 2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide

2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 17395764) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
PubChem CID17395764
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)C2CC3C=CC2C3)CC1
InChIInChI=1S/C22H29N3O2/c1-2-17-5-3-4-6-20(17)23-21(26)15-24-9-11-25(12-10-24)22(27)19-14-16-7-8-18(19)13-16/h3-8,16,18-19H,2,9-15H2,1H3,(H,23,26)
InChIKeyZTBTUXJEIISJIJ-UHFFFAOYSA-N
XLogP2.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022433
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
N-(2-ethylphenyl)-2-[4-(1-propylpiperidine-4-carbonyl)piperazin-1-yl]acetamide
CID 86844281
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833554
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-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39762859
2-[4-(1-benzylpiperidine-3-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55987825
2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 42917736
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30969143
2-(4-acetylpiperazine-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 109134716
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558

Frequently Asked Questions

What is the IUPAC name of 2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide (CID 17395764) is 2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)C2CC3C=CC2C3)CC1.
What is the InChIKey of 2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is ZTBTUXJEIISJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-2-17-5-3-4-6-20(17)23-21(26)15-24-9-11-25(12-10-24)22(27)19-14-16-7-8-18(19)13-16/h3-8,16,18-19H,2,9-15H2,1H3,(H,23,26).
What are the key properties of 2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 367.49 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 17395764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).