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

C22H27N3O3 — CID 113173155

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1N(CC(=O)N1CCN(Cc2ccccc2)CC1)C(C)=O
InChIInChI=1S/C22H27N3O3/c1-18(26)25(20-10-6-7-11-21(20)28-2)17-22(27)24-14-12-23(13-15-24)16-19-8-4-3-5-9-19/h3-11H,12-17H2,1-2H3
InChIKeyNIDVDZNUXZBELL-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.39
Rot. Bonds6

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

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)acetamide (PubChem CID 113173155) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)acetamide
PubChem CID113173155
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1N(CC(=O)N1CCN(Cc2ccccc2)CC1)C(C)=O
InChIInChI=1S/C22H27N3O3/c1-18(26)25(20-10-6-7-11-21(20)28-2)17-22(27)24-14-12-23(13-15-24)16-19-8-4-3-5-9-19/h3-11H,12-17H2,1-2H3
InChIKeyNIDVDZNUXZBELL-UHFFFAOYSA-N
XLogP2.39
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113173112
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)acetamide
CID 113173899
N-(2-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113173166
N-(5-chloro-2-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113172796
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-methoxyphenyl)propanamide
CID 126509200
1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
CID 9071450
N-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171118
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(hydroxymethyl)-5-methoxypyridin-4-one
CID 53367911
N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113174510
tert-butyl N-(2-methoxyphenyl)-N-[2-oxo-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethyl]carbamate
CID 22321603

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)acetamide (CID 113173155) is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1N(CC(=O)N1CCN(Cc2ccccc2)CC1)C(C)=O.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is NIDVDZNUXZBELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-18(26)25(20-10-6-7-11-21(20)28-2)17-22(27)24-14-12-23(13-15-24)16-19-8-4-3-5-9-19/h3-11H,12-17H2,1-2H3.
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)acetamide?
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.39, 6 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-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 113173155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).