N-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide

C22H27N3O2 — CID 108950439

IUPACN-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
SMILESCCc1ccccc1NC(=O)CC(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C22H27N3O2/c1-3-18-8-4-5-10-20(18)23-21(26)16-22(27)25-13-11-24(12-14-25)19-9-6-7-17(2)15-19/h4-10,15H,3,11-14,16H2,1-2H3,(H,23,26)
InChIKeyKLFHKIYVUUQICH-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.23
Rot. Bonds5

About N-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide

N-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide (PubChem CID 108950439) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
PubChem CID108950439
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
SMILESCCc1ccccc1NC(=O)CC(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C22H27N3O2/c1-3-18-8-4-5-10-20(18)23-21(26)16-22(27)25-13-11-24(12-14-25)19-9-6-7-17(2)15-19/h4-10,15H,3,11-14,16H2,1-2H3,(H,23,26)
InChIKeyKLFHKIYVUUQICH-UHFFFAOYSA-N
XLogP3.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113111721
N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950686
(2R)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 25360218
4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 6467004
3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(4-propan-2-ylphenyl)propanamide
CID 108950444
N-(3,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950492
N-[2-(2-fluorophenyl)ethyl]-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108948236
N-(3-chloro-2-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949428
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
N-(2-ethylphenyl)-2-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 24678044
3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide
CID 108950423
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide?
The IUPAC name of N-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide (CID 108950439) is N-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide?
The canonical SMILES for N-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide is CCc1ccccc1NC(=O)CC(=O)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide?
The InChIKey is KLFHKIYVUUQICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-18-8-4-5-10-20(18)23-21(26)16-22(27)25-13-11-24(12-14-25)19-9-6-7-17(2)15-19/h4-10,15H,3,11-14,16H2,1-2H3,(H,23,26).
What are the key properties of N-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide?
N-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide has a molecular weight of 365.48 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide is sourced from PubChem (CID 108950439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).