N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide

C20H27N5O2 — CID 120879262

IUPACN-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCNCC1c1nccn1C)c1ccc(C)cc1
InChIInChI=1S/C20H27N5O2/c1-14-4-6-16(7-5-14)17(23-15(2)26)12-19(27)25-11-8-21-13-18(25)20-22-9-10-24(20)3/h4-7,9-10,17-18,21H,8,11-13H2,1-3H3,(H,23,26)
InChIKeyOZTYSJDCAVYEQU-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.47
Rot. Bonds5

About N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide

N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide (PubChem CID 120879262) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
PubChem CID120879262
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCNCC1c1nccn1C)c1ccc(C)cc1
InChIInChI=1S/C20H27N5O2/c1-14-4-6-16(7-5-14)17(23-15(2)26)12-19(27)25-11-8-21-13-18(25)20-22-9-10-24(20)3/h4-7,9-10,17-18,21H,8,11-13H2,1-3H3,(H,23,26)
InChIKeyOZTYSJDCAVYEQU-UHFFFAOYSA-N
XLogP1.47
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120880922
2-(2,5-dimethylphenyl)sulfanyl-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879961
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione;hydrochloride
CID 120878639
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 120878807
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 120880696
2-(2,6-dimethylanilino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride
CID 120879777
3-(2-chlorophenyl)sulfanyl-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120878635
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 120879518
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride
CID 120879343
2-(2-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879127
(2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879020

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide?
The IUPAC name of N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide (CID 120879262) is N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide is CC(=O)NC(CC(=O)N1CCNCC1c1nccn1C)c1ccc(C)cc1.
What is the InChIKey of N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide?
The InChIKey is OZTYSJDCAVYEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-4-6-16(7-5-14)17(23-15(2)26)12-19(27)25-11-8-21-13-18(25)20-22-9-10-24(20)3/h4-7,9-10,17-18,21H,8,11-13H2,1-3H3,(H,23,26).
What are the key properties of N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide?
N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide is sourced from PubChem (CID 120879262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).