N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)acetamide

C23H29N3O3 — CID 113173899

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)C(C)=O)cc1
InChIInChI=1S/C23H29N3O3/c1-3-29-22-11-9-21(10-12-22)26(19(2)27)18-23(28)25-15-13-24(14-16-25)17-20-7-5-4-6-8-20/h4-12H,3,13-18H2,1-2H3
InChIKeyRQQKGPGQNIMECA-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.78
Rot. Bonds7

About N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)acetamide

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 113173899) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)acetamide
PubChem CID113173899
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)C(C)=O)cc1
InChIInChI=1S/C23H29N3O3/c1-3-29-22-11-9-21(10-12-22)26(19(2)27)18-23(28)25-15-13-24(14-16-25)17-20-7-5-4-6-8-20/h4-12H,3,13-18H2,1-2H3
InChIKeyRQQKGPGQNIMECA-UHFFFAOYSA-N
XLogP2.78
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone;oxalic acid
CID 163329557
N-(4-ethoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113173909
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)acetamide
CID 113173155
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide
CID 113173931
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366016
2-(4-benzylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 44902030
1-benzyl-3-[3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]-1-methylurea
CID 56515712
ethyl 4-[2-(N-acetyl-4-methylanilino)acetyl]piperazine-1-carboxylate
CID 113167712
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(4-ethoxyphenyl)benzenesulfonamide
CID 126035192
1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid
CID 2902011
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)acetamide (CID 113173899) is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)C(C)=O)cc1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is RQQKGPGQNIMECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-29-22-11-9-21(10-12-22)26(19(2)27)18-23(28)25-15-13-24(14-16-25)17-20-7-5-4-6-8-20/h4-12H,3,13-18H2,1-2H3.
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)acetamide?
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 395.50 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 113173899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).