2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide

C15H20N6O — CID 120870641

IUPAC2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
SMILESCn1ccnc1C1CNCCN1CC(=O)Nc1ccncc1
InChIInChI=1S/C15H20N6O/c1-20-8-7-18-15(20)13-10-17-6-9-21(13)11-14(22)19-12-2-4-16-5-3-12/h2-5,7-8,13,17H,6,9-11H2,1H3,(H,16,19,22)
InChIKeyJZLKTALALZIRRA-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.40
Rot. Bonds4

About 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide

2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide (PubChem CID 120870641) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
PubChem CID120870641
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
SMILESCn1ccnc1C1CNCCN1CC(=O)Nc1ccncc1
InChIInChI=1S/C15H20N6O/c1-20-8-7-18-15(20)13-10-17-6-9-21(13)11-14(22)19-12-2-4-16-5-3-12/h2-5,7-8,13,17H,6,9-11H2,1H3,(H,16,19,22)
InChIKeyJZLKTALALZIRRA-UHFFFAOYSA-N
XLogP0.40
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 120870665
N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871305
N-(3-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870377
N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870144
N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride
CID 120870143
N-(5-bromo-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869936
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 120870657
N-(4-bromophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide
CID 120870835
N-(2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120869993
N-ethyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120967367
N-(2,3-dimethylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869970
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide
CID 120870905

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide (CID 120870641) is 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide is Cn1ccnc1C1CNCCN1CC(=O)Nc1ccncc1.
What is the InChIKey of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide?
The InChIKey is JZLKTALALZIRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-20-8-7-18-15(20)13-10-17-6-9-21(13)11-14(22)19-12-2-4-16-5-3-12/h2-5,7-8,13,17H,6,9-11H2,1H3,(H,16,19,22).
What are the key properties of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide?
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide has a molecular weight of 300.37 g/mol, XLogP of 0.40, 4 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-pyridin-4-ylacetamide is sourced from PubChem (CID 120870641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).