2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide

C21H31N5O2 — CID 120870543

IUPAC2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
SMILESCCCOCc1ccccc1CNC(=O)CN1CCNCC1c1nccn1C
InChIInChI=1S/C21H31N5O2/c1-3-12-28-16-18-7-5-4-6-17(18)13-24-20(27)15-26-11-8-22-14-19(26)21-23-9-10-25(21)2/h4-7,9-10,19,22H,3,8,11-16H2,1-2H3,(H,24,27)
InChIKeyDFQLNSBUOMBZLD-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.61
Rot. Bonds9

About 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide

2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide (PubChem CID 120870543) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
PubChem CID120870543
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
SMILESCCCOCc1ccccc1CNC(=O)CN1CCNCC1c1nccn1C
InChIInChI=1S/C21H31N5O2/c1-3-12-28-16-18-7-5-4-6-17(18)13-24-20(27)15-26-11-8-22-14-19(26)21-23-9-10-25(21)2/h4-7,9-10,19,22H,3,8,11-16H2,1-2H3,(H,24,27)
InChIKeyDFQLNSBUOMBZLD-UHFFFAOYSA-N
XLogP1.61
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 120870997
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 120869804
N-ethyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120967367
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide
CID 120870905
N-[(4-methoxyphenyl)methyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871315
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869984
N-(2-ethyl-6-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120870414
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 120870657
N-[2-(2,3-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120870091
N-(2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120869993
N-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871124
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
CID 120869985

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide (CID 120870543) is 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide is CCCOCc1ccccc1CNC(=O)CN1CCNCC1c1nccn1C.
What is the InChIKey of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide?
The InChIKey is DFQLNSBUOMBZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-3-12-28-16-18-7-5-4-6-17(18)13-24-20(27)15-26-11-8-22-14-19(26)21-23-9-10-25(21)2/h4-7,9-10,19,22H,3,8,11-16H2,1-2H3,(H,24,27).
What are the key properties of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide?
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide has a molecular weight of 385.51 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 120870543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).