N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide

C21H26N4O3 — CID 5034698

IUPACN-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)NC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C21H26N4O3/c1-28-19-10-6-5-9-18(19)25-13-11-24(12-14-25)16-20(26)23-21(27)22-15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H2,22,23,26,27)
InChIKeyIUZLSYNENKFMDF-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.84
Rot. Bonds6

About N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide

N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 5034698) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID5034698
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)NC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C21H26N4O3/c1-28-19-10-6-5-9-18(19)25-13-11-24(12-14-25)16-20(26)23-21(27)22-15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H2,22,23,26,27)
InChIKeyIUZLSYNENKFMDF-UHFFFAOYSA-N
XLogP1.84
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide (CID 5034698) is N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide is COc1ccccc1N1CCN(CC(=O)NC(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is IUZLSYNENKFMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-28-19-10-6-5-9-18(19)25-13-11-24(12-14-25)16-20(26)23-21(27)22-15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H2,22,23,26,27).
What are the key properties of N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 5034698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).