3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-yl]benzamide

C19H22FN6O2+ — CID 7412091

IUPAC3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-yl]benzamide
SMILESO=C(NC1CC[NH+](Cc2nnnn2Cc2ccco2)CC1)c1cccc(F)c1
InChIInChI=1S/C19H21FN6O2/c20-15-4-1-3-14(11-15)19(27)21-16-6-8-25(9-7-16)13-18-22-23-24-26(18)12-17-5-2-10-28-17/h1-5,10-11,16H,6-9,12-13H2,(H,21,27)/p+1
InChIKeySYFGSOMGCVOCOS-UHFFFAOYSA-O
MW385.42 g/mol
LogP0.43
Rot. Bonds6

About 3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-yl]benzamide

3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-yl]benzamide (PubChem CID 7412091) has the molecular formula C19H22FN6O2+ and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-yl]benzamide
PubChem CID7412091
Molecular FormulaC19H22FN6O2+
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-yl]benzamide
SMILESO=C(NC1CC[NH+](Cc2nnnn2Cc2ccco2)CC1)c1cccc(F)c1
InChIInChI=1S/C19H21FN6O2/c20-15-4-1-3-14(11-15)19(27)21-16-6-8-25(9-7-16)13-18-22-23-24-26(18)12-17-5-2-10-28-17/h1-5,10-11,16H,6-9,12-13H2,(H,21,27)/p+1
InChIKeySYFGSOMGCVOCOS-UHFFFAOYSA-O
XLogP0.43
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-yl]benzamide with MolForge

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Related Compounds

{4-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-butyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 24792460
1-(1-Adamantyl)-3-[8-[[1-(2-furanylmethyl)-5-tetrazolyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 646028
Furan-2-yl-(4-{[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-p-tolyl-methyl}-piperazin-1-yl)-methanone
CID 648836
[(1-tert-Butyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-furan-2-ylmethyl-(3-methoxy-benzyl)-amine
CID 648894
N-[1-(1-Cyclopentyl-1H-tetrazol-5-ylmethyl)-piperidin-4-yl]-2-ethoxy-benzamide
CID 650091
Furan-2-yl-{4-[3-methyl-1-(1-phenethyl-1H-tetrazol-5-yl)-butyl]-piperazin-1-yl}-methanone
CID 650696
(4-{1-[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 651772
(4-{(4-Fluoro-phenyl)-[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 655575
2-Ethoxy-N-[9-(1-furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-9-aza-bicyclo[3.3.1]non-3-yl]-benzamide
CID 655889
(4-tert-Butyl-benzyl)-(1-cyclopentyl-1H-tetrazol-5-ylmethyl)-furan-2-ylmethyl-amine
CID 1439003
N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]butanamide
CID 3178683
N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)-2-tetrazolyl]-1-oxoethyl]-(2-furanylmethyl)amino]hexanamide
CID 3180044

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-yl]benzamide?
The IUPAC name of 3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-yl]benzamide (CID 7412091) is 3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-yl]benzamide is O=C(NC1CC[NH+](Cc2nnnn2Cc2ccco2)CC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-yl]benzamide?
The InChIKey is SYFGSOMGCVOCOS-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21FN6O2/c20-15-4-1-3-14(11-15)19(27)21-16-6-8-25(9-7-16)13-18-22-23-24-26(18)12-17-5-2-10-28-17/h1-5,10-11,16H,6-9,12-13H2,(H,21,27)/p+1.
What are the key properties of 3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-yl]benzamide?
3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-yl]benzamide has a molecular weight of 385.42 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-yl]benzamide is sourced from PubChem (CID 7412091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).