4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetyl]piperazin-2-one

C14H22N6O2 — CID 120871171

IUPAC4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetyl]piperazin-2-one
SMILESCn1ccnc1C1CNCCN1CC(=O)N1CCNC(=O)C1
InChIInChI=1S/C14H22N6O2/c1-18-5-3-17-14(18)11-8-15-2-6-19(11)10-13(22)20-7-4-16-12(21)9-20/h3,5,11,15H,2,4,6-10H2,1H3,(H,16,21)
InChIKeyZVJNZCZLTNFCKZ-UHFFFAOYSA-N
MW306.37 g/mol
LogP-1.68
Rot. Bonds3

About 4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetyl]piperazin-2-one

4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetyl]piperazin-2-one (PubChem CID 120871171) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetyl]piperazin-2-one
PubChem CID120871171
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetyl]piperazin-2-one
SMILESCn1ccnc1C1CNCCN1CC(=O)N1CCNC(=O)C1
InChIInChI=1S/C14H22N6O2/c1-18-5-3-17-14(18)11-8-15-2-6-19(11)10-13(22)20-7-4-16-12(21)9-20/h3,5,11,15H,2,4,6-10H2,1H3,(H,16,21)
InChIKeyZVJNZCZLTNFCKZ-UHFFFAOYSA-N
XLogP-1.68
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120871104
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 120870506
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
CID 120870990
N-ethyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120967367
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120871068
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide
CID 120870905
N-cyclopentyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871110
N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870391
1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 120869854
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 120870641
N-(cyclohexylmethyl)-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870995
N-(2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120869993

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetyl]piperazin-2-one?
The IUPAC name of 4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetyl]piperazin-2-one (CID 120871171) is 4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetyl]piperazin-2-one is Cn1ccnc1C1CNCCN1CC(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetyl]piperazin-2-one?
The InChIKey is ZVJNZCZLTNFCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-18-5-3-17-14(18)11-8-15-2-6-19(11)10-13(22)20-7-4-16-12(21)9-20/h3,5,11,15H,2,4,6-10H2,1H3,(H,16,21).
What are the key properties of 4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetyl]piperazin-2-one?
4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetyl]piperazin-2-one has a molecular weight of 306.37 g/mol, XLogP of -1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetyl]piperazin-2-one is sourced from PubChem (CID 120871171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).