2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide

C23H27N3O5 — CID 32771644

IUPAC2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3ccc(OCC(N)=O)c(OC)c3)CC2)cc1
InChIInChI=1S/C23H27N3O5/c1-3-16-4-6-17(7-5-16)22(28)25-10-12-26(13-11-25)23(29)18-8-9-19(20(14-18)30-2)31-15-21(24)27/h4-9,14H,3,10-13,15H2,1-2H3,(H2,24,27)
InChIKeyNXZVOSHJWSOFDJ-UHFFFAOYSA-N
MW425.49 g/mol
LogP1.72
Rot. Bonds7

About 2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide

2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide (PubChem CID 32771644) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide
PubChem CID32771644
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3ccc(OCC(N)=O)c(OC)c3)CC2)cc1
InChIInChI=1S/C23H27N3O5/c1-3-16-4-6-17(7-5-16)22(28)25-10-12-26(13-11-25)23(29)18-8-9-19(20(14-18)30-2)31-15-21(24)27/h4-9,14H,3,10-13,15H2,1-2H3,(H2,24,27)
InChIKeyNXZVOSHJWSOFDJ-UHFFFAOYSA-N
XLogP1.72
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methanone
CID 1015165
[4-(aminomethyl)phenyl]-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119278584
2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide
CID 9092899
(3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 31824614
2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 119644854
2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 9089096
(3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone
CID 70598788
(4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 108934968
2-[4-(4-ethylpiperazine-1-carbothioyl)-2-methoxyphenoxy]acetamide
CID 2987165
2-[2-methoxy-4-[(4R)-4-propylazepane-1-carbonyl]phenoxy]acetamide
CID 94797465
2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide
CID 8968543
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide (CID 32771644) is 2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide is CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(OCC(N)=O)c(OC)c3)CC2)cc1.
What is the InChIKey of 2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide?
The InChIKey is NXZVOSHJWSOFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-3-16-4-6-17(7-5-16)22(28)25-10-12-26(13-11-25)23(29)18-8-9-19(20(14-18)30-2)31-15-21(24)27/h4-9,14H,3,10-13,15H2,1-2H3,(H2,24,27).
What are the key properties of 2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide?
2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide has a molecular weight of 425.49 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 32771644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).