N-benzyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide

C19H27N5O — CID 90533919

IUPACN-benzyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
SMILESCc1nccn1CCN1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C19H27N5O/c1-17-20-7-8-24(17)14-13-22-9-11-23(12-10-22)16-19(25)21-15-18-5-3-2-4-6-18/h2-8H,9-16H2,1H3,(H,21,25)
InChIKeyIHDXXTIFVMTBSD-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.13
Rot. Bonds7

About N-benzyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide

N-benzyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide (PubChem CID 90533919) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-benzyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
PubChem CID90533919
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-benzyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
SMILESCc1nccn1CCN1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C19H27N5O/c1-17-20-7-8-24(17)14-13-22-9-11-23(12-10-22)16-19(25)21-15-18-5-3-2-4-6-18/h2-8H,9-16H2,1H3,(H,21,25)
InChIKeyIHDXXTIFVMTBSD-UHFFFAOYSA-N
XLogP1.13
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533948
2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide
CID 90533937
N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943408
N-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533896
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 166249976
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 90533764
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
N-benzyl-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 24613930
2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;dihydrochloride
CID 45284369
N-[(2-chlorophenyl)methyl]-2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90561773
N-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 75391386

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide (CID 90533919) is N-benzyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide is Cc1nccn1CCN1CCN(CC(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
The InChIKey is IHDXXTIFVMTBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-17-20-7-8-24(17)14-13-22-9-11-23(12-10-22)16-19(25)21-15-18-5-3-2-4-6-18/h2-8H,9-16H2,1H3,(H,21,25).
What are the key properties of N-benzyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide?
N-benzyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide has a molecular weight of 341.46 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 90533919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).