1-[(R)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide

C19H22FN6O2+ — CID 6986137

IUPAC1-[(R)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide
SMILESNC(=O)C1CC[NH+]([C@H](c2ccccc2F)c2nnnn2Cc2ccco2)CC1
InChIInChI=1S/C19H21FN6O2/c20-16-6-2-1-5-15(16)17(25-9-7-13(8-10-25)18(21)27)19-22-23-24-26(19)12-14-4-3-11-28-14/h1-6,11,13,17H,7-10,12H2,(H2,21,27)/p+1/t17-/m1/s1
InChIKeyCUWFGFGOADPBBU-QGZVFWFLSA-O
MW385.42 g/mol
LogP0.32
Rot. Bonds6

About 1-[(R)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide

1-[(R)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide (PubChem CID 6986137) has the molecular formula C19H22FN6O2+ and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-[(R)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[(R)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide
PubChem CID6986137
Molecular FormulaC19H22FN6O2+
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name1-[(R)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide
SMILESNC(=O)C1CC[NH+]([C@H](c2ccccc2F)c2nnnn2Cc2ccco2)CC1
InChIInChI=1S/C19H21FN6O2/c20-16-6-2-1-5-15(16)17(25-9-7-13(8-10-25)18(21)27)19-22-23-24-26(19)12-14-4-3-11-28-14/h1-6,11,13,17H,7-10,12H2,(H2,21,27)/p+1/t17-/m1/s1
InChIKeyCUWFGFGOADPBBU-QGZVFWFLSA-O
XLogP0.32
TPSA104.27 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 ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(R)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide with MolForge

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Related Compounds

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
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
[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-furan-2-ylmethyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 3193712
(4-{[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-p-tolyl-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 3209098

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[(R)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide (CID 6986137) is 1-[(R)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[(R)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[(R)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide is NC(=O)C1CC[NH+]([C@H](c2ccccc2F)c2nnnn2Cc2ccco2)CC1.
What is the InChIKey of 1-[(R)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide?
The InChIKey is CUWFGFGOADPBBU-QGZVFWFLSA-O. The full InChI is InChI=1S/C19H21FN6O2/c20-16-6-2-1-5-15(16)17(25-9-7-13(8-10-25)18(21)27)19-22-23-24-26(19)12-14-4-3-11-28-14/h1-6,11,13,17H,7-10,12H2,(H2,21,27)/p+1/t17-/m1/s1.
What are the key properties of 1-[(R)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide?
1-[(R)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 6986137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).