N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide

C22H27N3O4 — CID 8541477

IUPACN-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOCCNC(=O)CN1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O4/c1-28-16-11-23-21(26)17-24-12-14-25(15-13-24)22(27)18-7-9-20(10-8-18)29-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,23,26)
InChIKeyKNOWMBHNTSSHOX-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.00
Rot. Bonds8

About N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide

N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide (PubChem CID 8541477) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide
PubChem CID8541477
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOCCNC(=O)CN1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O4/c1-28-16-11-23-21(26)17-24-12-14-25(15-13-24)22(27)18-7-9-20(10-8-18)29-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,23,26)
InChIKeyKNOWMBHNTSSHOX-UHFFFAOYSA-N
XLogP2.00
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide 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-(2-methoxyethyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8541485
N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8945118
N-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide
CID 55429139
2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 9223614
2-[4-(4-phenoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 8893050
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 34833982
N-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
CID 27741719
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 119836348
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427
2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 78827736
2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 51632258
2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 119836370

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide (CID 8541477) is N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide is COCCNC(=O)CN1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide?
The InChIKey is KNOWMBHNTSSHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-28-16-11-23-21(26)17-24-12-14-25(15-13-24)22(27)18-7-9-20(10-8-18)29-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,23,26).
What are the key properties of N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide?
N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 8541477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).