N-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide

C19H23N3O3 — CID 171716410

IUPACN-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
SMILESCOc1ccc(C(C(=O)Nc2ccc(O)cc2)N2CCNCC2)cc1
InChIInChI=1S/C19H23N3O3/c1-25-17-8-2-14(3-9-17)18(22-12-10-20-11-13-22)19(24)21-15-4-6-16(23)7-5-15/h2-9,18,20,23H,10-13H2,1H3,(H,21,24)
InChIKeyOMDVLJRWMAOKGY-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.99
Rot. Bonds5

About N-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide

N-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide (PubChem CID 171716410) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
PubChem CID171716410
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
SMILESCOc1ccc(C(C(=O)Nc2ccc(O)cc2)N2CCNCC2)cc1
InChIInChI=1S/C19H23N3O3/c1-25-17-8-2-14(3-9-17)18(22-12-10-20-11-13-22)19(24)21-15-4-6-16(23)7-5-15/h2-9,18,20,23H,10-13H2,1H3,(H,21,24)
InChIKeyOMDVLJRWMAOKGY-UHFFFAOYSA-N
XLogP1.99
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
CID 171716413
2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
CID 54891952
(2S)-N-(4-methoxyphenyl)-2-morpholin-4-yl-2-(4-nitrophenyl)acetamide
CID 7279087
(3S,4S)-1-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120648
1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764
N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 16771863
methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate
CID 28819369
2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide
CID 60995776
N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide
CID 46561400
4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol
CID 82263328
(4-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939730
(2R)-N-(4-methoxyphenyl)-2-phenyl-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetamide
CID 95287350

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide (CID 171716410) is N-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide is COc1ccc(C(C(=O)Nc2ccc(O)cc2)N2CCNCC2)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide?
The InChIKey is OMDVLJRWMAOKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-25-17-8-2-14(3-9-17)18(22-12-10-20-11-13-22)19(24)21-15-4-6-16(23)7-5-15/h2-9,18,20,23H,10-13H2,1H3,(H,21,24).
What are the key properties of N-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide?
N-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide has a molecular weight of 341.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 171716410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).