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

C25H34N4O4 — CID 55683741

IUPAC2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCOc1cc(C(=O)N2CCN(CC(=O)N(CC)CC)CC2)ccc1OCc1ccncc1
InChIInChI=1S/C25H34N4O4/c1-4-28(5-2)24(30)18-27-13-15-29(16-14-27)25(31)21-7-8-22(23(17-21)32-6-3)33-19-20-9-11-26-12-10-20/h7-12,17H,4-6,13-16,18-19H2,1-3H3
InChIKeyIXILKLYWRNZFFC-UHFFFAOYSA-N
MW454.57 g/mol
LogP2.69
Rot. Bonds10

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

2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-N,N-diethylacetamide (PubChem CID 55683741) has the molecular formula C25H34N4O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-N,N-diethylacetamide
PubChem CID55683741
Molecular FormulaC25H34N4O4
Molecular Weight454.57 g/mol
Exact Mass454.26
IUPAC Name2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCOc1cc(C(=O)N2CCN(CC(=O)N(CC)CC)CC2)ccc1OCc1ccncc1
InChIInChI=1S/C25H34N4O4/c1-4-28(5-2)24(30)18-27-13-15-29(16-14-27)25(31)21-7-8-22(23(17-21)32-6-3)33-19-20-9-11-26-12-10-20/h7-12,17H,4-6,13-16,18-19H2,1-3H3
InChIKeyIXILKLYWRNZFFC-UHFFFAOYSA-N
XLogP2.69
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 55575041
[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 34986251
[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 30798513
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]methanone
CID 124592250
N-cyclohexyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 138996096
(4-ethoxy-3-nitrophenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226700
N-benzyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 30838266
2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55683067
(2R)-1-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 125148741
[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 55576530
2-[4-(3,4-dimethylbenzoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 136576533
3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide
CID 55576010

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-N,N-diethylacetamide (CID 55683741) is 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-N,N-diethylacetamide is CCOc1cc(C(=O)N2CCN(CC(=O)N(CC)CC)CC2)ccc1OCc1ccncc1.
What is the InChIKey of 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is IXILKLYWRNZFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4/c1-4-28(5-2)24(30)18-27-13-15-29(16-14-27)25(31)21-7-8-22(23(17-21)32-6-3)33-19-20-9-11-26-12-10-20/h7-12,17H,4-6,13-16,18-19H2,1-3H3.
What are the key properties of 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-N,N-diethylacetamide?
2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 454.57 g/mol, XLogP of 2.69, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 55683741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).