2-(4-benzoylpiperazin-1-yl)-N-(3,4-diethoxyphenyl)acetamide

C23H29N3O4 — CID 9223268

IUPAC2-(4-benzoylpiperazin-1-yl)-N-(3,4-diethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1OCC
InChIInChI=1S/C23H29N3O4/c1-3-29-20-11-10-19(16-21(20)30-4-2)24-22(27)17-25-12-14-26(15-13-25)23(28)18-8-6-5-7-9-18/h5-11,16H,3-4,12-15,17H2,1-2H3,(H,24,27)
InChIKeyAWDDPKCEOALXRZ-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.88
Rot. Bonds8

About 2-(4-benzoylpiperazin-1-yl)-N-(3,4-diethoxyphenyl)acetamide

2-(4-benzoylpiperazin-1-yl)-N-(3,4-diethoxyphenyl)acetamide (PubChem CID 9223268) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-(3,4-diethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-(3,4-diethoxyphenyl)acetamide
PubChem CID9223268
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-(3,4-diethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1OCC
InChIInChI=1S/C23H29N3O4/c1-3-29-20-11-10-19(16-21(20)30-4-2)24-22(27)17-25-12-14-26(15-13-25)23(28)18-8-6-5-7-9-18/h5-11,16H,3-4,12-15,17H2,1-2H3,(H,24,27)
InChIKeyAWDDPKCEOALXRZ-UHFFFAOYSA-N
XLogP2.88
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(3,4-diethoxyphenyl)acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(3,4-diethoxyphenyl)acetamide (CID 9223268) is 2-(4-benzoylpiperazin-1-yl)-N-(3,4-diethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-(3,4-diethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-(3,4-diethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1OCC.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-(3,4-diethoxyphenyl)acetamide?
The InChIKey is AWDDPKCEOALXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-3-29-20-11-10-19(16-21(20)30-4-2)24-22(27)17-25-12-14-26(15-13-25)23(28)18-8-6-5-7-9-18/h5-11,16H,3-4,12-15,17H2,1-2H3,(H,24,27).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-(3,4-diethoxyphenyl)acetamide?
2-(4-benzoylpiperazin-1-yl)-N-(3,4-diethoxyphenyl)acetamide has a molecular weight of 411.50 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-(3,4-diethoxyphenyl)acetamide is sourced from PubChem (CID 9223268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).