2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide

C20H31N3O5 — CID 55429129

IUPAC2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCCOc1cc(C(=O)N2CCN(CC(=O)NCCCOC)CC2)ccc1OC
InChIInChI=1S/C20H31N3O5/c1-4-28-18-14-16(6-7-17(18)27-3)20(25)23-11-9-22(10-12-23)15-19(24)21-8-5-13-26-2/h6-7,14H,4-5,8-13,15H2,1-3H3,(H,21,24)
InChIKeyYQIWYEZADJJIBB-UHFFFAOYSA-N
MW393.48 g/mol
LogP1.00
Rot. Bonds10

About 2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide

2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 55429129) has the molecular formula C20H31N3O5 and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID55429129
Molecular FormulaC20H31N3O5
Molecular Weight393.48 g/mol
Exact Mass393.23
IUPAC Name2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCCOc1cc(C(=O)N2CCN(CC(=O)NCCCOC)CC2)ccc1OC
InChIInChI=1S/C20H31N3O5/c1-4-28-18-14-16(6-7-17(18)27-3)20(25)23-11-9-22(10-12-23)15-19(24)21-8-5-13-26-2/h6-7,14H,4-5,8-13,15H2,1-3H3,(H,21,24)
InChIKeyYQIWYEZADJJIBB-UHFFFAOYSA-N
XLogP1.00
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8945118
N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 18163310
2-[4-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55428478
N-(3-methoxypropyl)-2-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 8945123
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436
N-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide
CID 55429139
N-(2-methoxyethyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8541485
2-[4-[5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55466171
N-(3-methoxypropyl)-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 55518105
N-butyl-2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18163262
(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone
CID 39260978
N-(3-methoxypropyl)-2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperazin-1-yl]acetamide
CID 55550560

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide (CID 55429129) is 2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide is CCOc1cc(C(=O)N2CCN(CC(=O)NCCCOC)CC2)ccc1OC.
What is the InChIKey of 2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is YQIWYEZADJJIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5/c1-4-28-18-14-16(6-7-17(18)27-3)20(25)23-11-9-22(10-12-23)15-19(24)21-8-5-13-26-2/h6-7,14H,4-5,8-13,15H2,1-3H3,(H,21,24).
What are the key properties of 2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 393.48 g/mol, XLogP of 1.00, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 55429129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).