N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

C22H25FN6O — CID 86887445

IUPACN-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(C)C3CCN(c4ccc(F)cc4)CC3)n2)cc1
InChIInChI=1S/C22H25FN6O/c1-16-3-5-17(6-4-16)22-24-26-29(25-22)15-21(30)27(2)19-11-13-28(14-12-19)20-9-7-18(23)8-10-20/h3-10,19H,11-15H2,1-2H3
InChIKeyUBLKPRYAUABZKY-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.92
Rot. Bonds5

About N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 86887445) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID86887445
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC NameN-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(C)C3CCN(c4ccc(F)cc4)CC3)n2)cc1
InChIInChI=1S/C22H25FN6O/c1-16-3-5-17(6-4-16)22-24-26-29(25-22)15-21(30)27(2)19-11-13-28(14-12-19)20-9-7-18(23)8-10-20/h3-10,19H,11-15H2,1-2H3
InChIKeyUBLKPRYAUABZKY-UHFFFAOYSA-N
XLogP2.92
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (CID 86887445) is N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccc(-c2nnn(CC(=O)N(C)C3CCN(c4ccc(F)cc4)CC3)n2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is UBLKPRYAUABZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-16-3-5-17(6-4-16)22-24-26-29(25-22)15-21(30)27(2)19-11-13-28(14-12-19)20-9-7-18(23)8-10-20/h3-10,19H,11-15H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 408.48 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 86887445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).