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

C22H25FN6O — CID 1445119

IUPAC2-fluoro-N-[1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
SMILESCc1ccc(Cn2nnnc2CN2CCC(NC(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C22H25FN6O/c1-16-6-8-17(9-7-16)14-29-21(25-26-27-29)15-28-12-10-18(11-13-28)24-22(30)19-4-2-3-5-20(19)23/h2-9,18H,10-15H2,1H3,(H,24,30)
InChIKeyWXUFGQVGFFWDES-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.56
Rot. Bonds6

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

2-fluoro-N-[1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]benzamide (PubChem CID 1445119) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-fluoro-N-[1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
PubChem CID1445119
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name2-fluoro-N-[1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
SMILESCc1ccc(Cn2nnnc2CN2CCC(NC(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C22H25FN6O/c1-16-6-8-17(9-7-16)14-29-21(25-26-27-29)15-28-12-10-18(11-13-28)24-22(30)19-4-2-3-5-20(19)23/h2-9,18H,10-15H2,1H3,(H,24,30)
InChIKeyWXUFGQVGFFWDES-UHFFFAOYSA-N
XLogP2.56
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.56
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-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]benzamide (CID 1445119) is 2-fluoro-N-[1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]benzamide is Cc1ccc(Cn2nnnc2CN2CCC(NC(=O)c3ccccc3F)CC2)cc1.
What is the InChIKey of 2-fluoro-N-[1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The InChIKey is WXUFGQVGFFWDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-16-6-8-17(9-7-16)14-29-21(25-26-27-29)15-28-12-10-18(11-13-28)24-22(30)19-4-2-3-5-20(19)23/h2-9,18H,10-15H2,1H3,(H,24,30).
What are the key properties of 2-fluoro-N-[1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
2-fluoro-N-[1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]benzamide has a molecular weight of 408.48 g/mol, XLogP of 2.56, 6 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-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 1445119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).