2-fluoro-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide

C22H25FN6O — CID 645546

IUPAC2-fluoro-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2nnnn2CCc2ccccc2)CC1)c1ccccc1F
InChIInChI=1S/C22H25FN6O/c23-20-9-5-4-8-19(20)22(30)24-18-11-13-28(14-12-18)16-21-25-26-27-29(21)15-10-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,24,30)
InChIKeyHPJUUXKPAJCUTA-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.45
Rot. Bonds7

About 2-fluoro-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide

2-fluoro-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide (PubChem CID 645546) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-fluoro-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
PubChem CID645546
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name2-fluoro-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2nnnn2CCc2ccccc2)CC1)c1ccccc1F
InChIInChI=1S/C22H25FN6O/c23-20-9-5-4-8-19(20)22(30)24-18-11-13-28(14-12-18)16-21-25-26-27-29(21)15-10-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,24,30)
InChIKeyHPJUUXKPAJCUTA-UHFFFAOYSA-N
XLogP2.45
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide (CID 645546) is 2-fluoro-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide is O=C(NC1CCN(Cc2nnnn2CCc2ccccc2)CC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The InChIKey is HPJUUXKPAJCUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O/c23-20-9-5-4-8-19(20)22(30)24-18-11-13-28(14-12-18)16-21-25-26-27-29(21)15-10-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,24,30).
What are the key properties of 2-fluoro-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
2-fluoro-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide has a molecular weight of 408.48 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 645546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).