N-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-5-(tetrazol-1-yl)benzamide

C26H25FN6O — CID 45198838

IUPACN-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-5-(tetrazol-1-yl)benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccc(F)cc2)cc(-n2cnnn2)c1
InChIInChI=1S/C26H25FN6O/c27-23-8-6-20(7-9-23)21-14-22(16-25(15-21)33-18-28-30-31-33)26(34)29-24-10-12-32(13-11-24)17-19-4-2-1-3-5-19/h1-9,14-16,18,24H,10-13,17H2,(H,29,34)
InChIKeyPVWWUFXXUGQUSC-UHFFFAOYSA-N
MW456.53 g/mol
LogP3.86
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-5-(tetrazol-1-yl)benzamide

N-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-5-(tetrazol-1-yl)benzamide (PubChem CID 45198838) has the molecular formula C26H25FN6O and a molecular weight of 456.53 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-5-(tetrazol-1-yl)benzamide
PubChem CID45198838
Molecular FormulaC26H25FN6O
Molecular Weight456.53 g/mol
Exact Mass456.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-5-(tetrazol-1-yl)benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccc(F)cc2)cc(-n2cnnn2)c1
InChIInChI=1S/C26H25FN6O/c27-23-8-6-20(7-9-23)21-14-22(16-25(15-21)33-18-28-30-31-33)26(34)29-24-10-12-32(13-11-24)17-19-4-2-1-3-5-19/h1-9,14-16,18,24H,10-13,17H2,(H,29,34)
InChIKeyPVWWUFXXUGQUSC-UHFFFAOYSA-N
XLogP3.86
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-5-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-5-(tetrazol-1-yl)benzamide (CID 45198838) is N-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-5-(tetrazol-1-yl)benzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccc(F)cc2)cc(-n2cnnn2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-5-(tetrazol-1-yl)benzamide?
The InChIKey is PVWWUFXXUGQUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O/c27-23-8-6-20(7-9-23)21-14-22(16-25(15-21)33-18-28-30-31-33)26(34)29-24-10-12-32(13-11-24)17-19-4-2-1-3-5-19/h1-9,14-16,18,24H,10-13,17H2,(H,29,34).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-5-(tetrazol-1-yl)benzamide?
N-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-5-(tetrazol-1-yl)benzamide has a molecular weight of 456.53 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 45198838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).