N-(4-ethylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide

C20H23N3O2 — CID 44999577

IUPACN-(4-ethylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCCc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3O2/c1-2-16-8-10-17(11-9-16)21-19(24)20(25)23-14-12-22(13-15-23)18-6-4-3-5-7-18/h3-11H,2,12-15H2,1H3,(H,21,24)
InChIKeyRRWPSNMPOCMAHL-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.54
Rot. Bonds3

About N-(4-ethylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide

N-(4-ethylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 44999577) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID44999577
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(4-ethylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCCc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3O2/c1-2-16-8-10-17(11-9-16)21-19(24)20(25)23-14-12-22(13-15-23)18-6-4-3-5-7-18/h3-11H,2,12-15H2,1H3,(H,21,24)
InChIKeyRRWPSNMPOCMAHL-UHFFFAOYSA-N
XLogP2.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902445
2-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 108985742
4-[[2-[4-(4-ethylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]-2-fluorobenzamide
CID 146091467
N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 17459284
N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215237
N-(2-hydroxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108514381
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)-2-oxoacetamide
CID 44999558
N'-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 22517366
1-(4-ethylphenyl)-3-[4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea
CID 1057995
1-(4-phenylpiperazin-1-yl)butane-1,2-dione
CID 70905363
1-(4-ethylphenyl)-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea
CID 1056891
1-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione
CID 78774986

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide (CID 44999577) is N-(4-ethylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide is CCc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is RRWPSNMPOCMAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-2-16-8-10-17(11-9-16)21-19(24)20(25)23-14-12-22(13-15-23)18-6-4-3-5-7-18/h3-11H,2,12-15H2,1H3,(H,21,24).
What are the key properties of N-(4-ethylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide?
N-(4-ethylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 337.42 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 44999577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).