N-(3-ethylphenyl)-4-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-oxobutanamide

C22H27N3O3 — CID 131900461

IUPACN-(3-ethylphenyl)-4-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-oxobutanamide
SMILESCCc1cccc(NC(=O)CCC(=O)N2CCN(c3cccc(O)c3)CC2)c1
InChIInChI=1S/C22H27N3O3/c1-2-17-5-3-6-18(15-17)23-21(27)9-10-22(28)25-13-11-24(12-14-25)19-7-4-8-20(26)16-19/h3-8,15-16,26H,2,9-14H2,1H3,(H,23,27)
InChIKeyJQAPYASSNFAJOO-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.02
Rot. Bonds6

About N-(3-ethylphenyl)-4-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-oxobutanamide

N-(3-ethylphenyl)-4-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-oxobutanamide (PubChem CID 131900461) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-4-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-oxobutanamide
PubChem CID131900461
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(3-ethylphenyl)-4-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-oxobutanamide
SMILESCCc1cccc(NC(=O)CCC(=O)N2CCN(c3cccc(O)c3)CC2)c1
InChIInChI=1S/C22H27N3O3/c1-2-17-5-3-6-18(15-17)23-21(27)9-10-22(28)25-13-11-24(12-14-25)19-7-4-8-20(26)16-19/h3-8,15-16,26H,2,9-14H2,1H3,(H,23,27)
InChIKeyJQAPYASSNFAJOO-UHFFFAOYSA-N
XLogP3.02
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-ethylphenyl)-4-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethylphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutanamide
CID 131942245
N-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8691104
N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide
CID 113078194
N-(3-hydroxyphenyl)-4-oxo-4-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]butanamide
CID 72724337
N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592549
N-(3-ethylphenyl)-4-[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-4-oxobutanamide
CID 131911358
N-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949450
1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703395
N-(3-ethylphenyl)-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-4-oxobutanamide
CID 131927649
ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate
CID 61062260
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
N'-(3-ethylphenyl)-N-(3-hydroxy-2,2-dimethylpropyl)butanediamide
CID 50971913

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-4-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-oxobutanamide?
The IUPAC name of N-(3-ethylphenyl)-4-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-oxobutanamide (CID 131900461) is N-(3-ethylphenyl)-4-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-oxobutanamide.
What is the SMILES notation for N-(3-ethylphenyl)-4-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-oxobutanamide?
The canonical SMILES for N-(3-ethylphenyl)-4-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-oxobutanamide is CCc1cccc(NC(=O)CCC(=O)N2CCN(c3cccc(O)c3)CC2)c1.
What is the InChIKey of N-(3-ethylphenyl)-4-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-oxobutanamide?
The InChIKey is JQAPYASSNFAJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-2-17-5-3-6-18(15-17)23-21(27)9-10-22(28)25-13-11-24(12-14-25)19-7-4-8-20(26)16-19/h3-8,15-16,26H,2,9-14H2,1H3,(H,23,27).
What are the key properties of N-(3-ethylphenyl)-4-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-oxobutanamide?
N-(3-ethylphenyl)-4-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-oxobutanamide has a molecular weight of 381.48 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-4-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 131900461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).