2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide

C20H21FN6O2 — CID 46968830

IUPAC2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CN1CCC(Oc2ccccc2F)CC1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C20H21FN6O2/c21-18-3-1-2-4-19(18)29-17-9-11-26(12-10-17)13-20(28)23-15-5-7-16(8-6-15)27-14-22-24-25-27/h1-8,14,17H,9-13H2,(H,23,28)
InChIKeyPBRKRAOLVWUHRE-UHFFFAOYSA-N
MW396.43 g/mol
LogP2.28
Rot. Bonds6

About 2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide

2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 46968830) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID46968830
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CN1CCC(Oc2ccccc2F)CC1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C20H21FN6O2/c21-18-3-1-2-4-19(18)29-17-9-11-26(12-10-17)13-20(28)23-15-5-7-16(8-6-15)27-14-22-24-25-27/h1-8,14,17H,9-13H2,(H,23,28)
InChIKeyPBRKRAOLVWUHRE-UHFFFAOYSA-N
XLogP2.28
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 46968830) is 2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(CN1CCC(Oc2ccccc2F)CC1)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is PBRKRAOLVWUHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c21-18-3-1-2-4-19(18)29-17-9-11-26(12-10-17)13-20(28)23-15-5-7-16(8-6-15)27-14-22-24-25-27/h1-8,14,17H,9-13H2,(H,23,28).
What are the key properties of 2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 396.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 46968830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).