2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide

C21H26N4O3 — CID 55410705

IUPAC2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
SMILESO=C(CN1CCN(CCOc2ccccc2)CC1)NC(=O)Nc1ccccc1
InChIInChI=1S/C21H26N4O3/c26-20(23-21(27)22-18-7-3-1-4-8-18)17-25-13-11-24(12-14-25)15-16-28-19-9-5-2-6-10-19/h1-10H,11-17H2,(H2,22,23,26,27)
InChIKeyFOTPJKMGOYWFJF-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.03
Rot. Bonds7

About 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide

2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide (PubChem CID 55410705) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
PubChem CID55410705
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
SMILESO=C(CN1CCN(CCOc2ccccc2)CC1)NC(=O)Nc1ccccc1
InChIInChI=1S/C21H26N4O3/c26-20(23-21(27)22-18-7-3-1-4-8-18)17-25-13-11-24(12-14-25)15-16-28-19-9-5-2-6-10-19/h1-10H,11-17H2,(H2,22,23,26,27)
InChIKeyFOTPJKMGOYWFJF-UHFFFAOYSA-N
XLogP2.03
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800
2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide
CID 36947804
N-[(2-methylcyclohexyl)carbamoyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 46807610
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259822
propan-2-yl 4-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzoate
CID 9259667
N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 30986083
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 9259876
N-(3-methoxypropyl)-2-[4-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperazin-1-yl]acetamide
CID 24507369
phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate
CID 59382148
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 9259187
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 9259510

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide (CID 55410705) is 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide is O=C(CN1CCN(CCOc2ccccc2)CC1)NC(=O)Nc1ccccc1.
What is the InChIKey of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide?
The InChIKey is FOTPJKMGOYWFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-20(23-21(27)22-18-7-3-1-4-8-18)17-25-13-11-24(12-14-25)15-16-28-19-9-5-2-6-10-19/h1-10H,11-17H2,(H2,22,23,26,27).
What are the key properties of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide?
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide has a molecular weight of 382.46 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide is sourced from PubChem (CID 55410705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).