N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide

C17H20FN9O — CID 120869918

IUPACN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
SMILESCn1ccnc1C1CNCCN1CC(=O)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C17H20FN9O/c1-25-6-5-20-17(25)15-9-19-4-7-26(15)10-16(28)22-14-8-12(2-3-13(14)18)27-11-21-23-24-27/h2-3,5-6,8,11,15,19H,4,7,9-10H2,1H3,(H,22,28)
InChIKeyXGPOTJRZJNYFCE-UHFFFAOYSA-N
MW385.41 g/mol
LogP0.12
Rot. Bonds5

About N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 120869918) has the molecular formula C17H20FN9O and a molecular weight of 385.41 g/mol. Its IUPAC name is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
PubChem CID120869918
Molecular FormulaC17H20FN9O
Molecular Weight385.41 g/mol
Exact Mass385.18
IUPAC NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
SMILESCn1ccnc1C1CNCCN1CC(=O)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C17H20FN9O/c1-25-6-5-20-17(25)15-9-19-4-7-26(15)10-16(28)22-14-8-12(2-3-13(14)18)27-11-21-23-24-27/h2-3,5-6,8,11,15,19H,4,7,9-10H2,1H3,(H,22,28)
InChIKeyXGPOTJRZJNYFCE-UHFFFAOYSA-N
XLogP0.12
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871463
N-(5-chloro-2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871158
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 120757045
N-(2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120869993
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755849
N-(5-chloro-2-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870196
N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870144
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 120870657
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871390
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 120870641
N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871305
N-(2,3-dimethylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869970

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide (CID 120869918) is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide is Cn1ccnc1C1CNCCN1CC(=O)Nc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is XGPOTJRZJNYFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN9O/c1-25-6-5-20-17(25)15-9-19-4-7-26(15)10-16(28)22-14-8-12(2-3-13(14)18)27-11-21-23-24-27/h2-3,5-6,8,11,15,19H,4,7,9-10H2,1H3,(H,22,28).
What are the key properties of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide?
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 385.41 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 120869918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).