N-benzyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide

C28H32N4O4 — CID 30838266

IUPACN-benzyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
SMILESCCOc1cc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)ccc1OCc1cccnc1
InChIInChI=1S/C28H32N4O4/c1-2-35-26-17-24(10-11-25(26)36-21-23-9-6-12-29-18-23)28(34)32-15-13-31(14-16-32)20-27(33)30-19-22-7-4-3-5-8-22/h3-12,17-18H,2,13-16,19-21H2,1H3,(H,30,33)
InChIKeyZYNXMVNIKWFADB-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.13
Rot. Bonds10

About N-benzyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide

N-benzyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide (PubChem CID 30838266) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-benzyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
PubChem CID30838266
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC NameN-benzyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
SMILESCCOc1cc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)ccc1OCc1cccnc1
InChIInChI=1S/C28H32N4O4/c1-2-35-26-17-24(10-11-25(26)36-21-23-9-6-12-29-18-23)28(34)32-15-13-31(14-16-32)20-27(33)30-19-22-7-4-3-5-8-22/h3-12,17-18H,2,13-16,19-21H2,1H3,(H,30,33)
InChIKeyZYNXMVNIKWFADB-UHFFFAOYSA-N
XLogP3.13
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55683067
N-cyclohexyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 138996096
tert-butyl 4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazine-1-carboxylate
CID 46588457
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436
[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 46671432
(4-aminopiperidin-1-yl)-[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119374059
4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 55599513
[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 39688623
[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 39126866
(2S)-4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]morpholine-2-carboxylic acid
CID 125120497
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 34986251

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide (CID 30838266) is N-benzyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide is CCOc1cc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)ccc1OCc1cccnc1.
What is the InChIKey of N-benzyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is ZYNXMVNIKWFADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-2-35-26-17-24(10-11-25(26)36-21-23-9-6-12-29-18-23)28(34)32-15-13-31(14-16-32)20-27(33)30-19-22-7-4-3-5-8-22/h3-12,17-18H,2,13-16,19-21H2,1H3,(H,30,33).
What are the key properties of N-benzyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide?
N-benzyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 488.59 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30838266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).