[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone

C17H17FN6O2 — CID 30857928

IUPAC[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C17H17FN6O2/c18-13-3-5-14(6-4-13)24-16(19-20-21-24)12-22-7-9-23(10-8-22)17(25)15-2-1-11-26-15/h1-6,11H,7-10,12H2
InChIKeySPKKUKDBHXLUIF-UHFFFAOYSA-N
MW356.36 g/mol
LogP1.35
Rot. Bonds4

About [4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 30857928) has the molecular formula C17H17FN6O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is [4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID30857928
Molecular FormulaC17H17FN6O2
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC Name[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C17H17FN6O2/c18-13-3-5-14(6-4-13)24-16(19-20-21-24)12-22-7-9-23(10-8-22)17(25)15-2-1-11-26-15/h1-6,11H,7-10,12H2
InChIKeySPKKUKDBHXLUIF-UHFFFAOYSA-N
XLogP1.35
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

{4-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-butyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 24792460
(4-{1-[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 651772
(4-{(4-Dimethylamino-phenyl)-[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 655528
(4-{(4-Fluoro-phenyl)-[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 655575
N-{[4-allyl-5-({2-[(3-fluorophenyl)amino]-2-oxoethyl}thio)-4H-1,2,4-triazol-3-yl]methyl}-2-furamide
CID 1262218
{4-[[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-(4-fluoro-phenyl)-methyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 3209105
Furan-2-yl-(4-{1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-pentyl}-piperazin-1-yl)-methanone
CID 6602648
N-{[1-(4-fluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-5-nitrofuran-2-carboxamide
CID 16799315
{4-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 3193401
ethyl ({4-(4-fluorophenyl)-5-[(2-furoylamino)methyl]-4H-1,2,4-triazol-3-yl}thio)acetate
CID 2159421
N-[[5-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
CID 2239281
[4-(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-piperazin-1-yl]-furan-2-yl-methanone
CID 3208558

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 30857928) is [4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1.
What is the InChIKey of [4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is SPKKUKDBHXLUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O2/c18-13-3-5-14(6-4-13)24-16(19-20-21-24)12-22-7-9-23(10-8-22)17(25)15-2-1-11-26-15/h1-6,11H,7-10,12H2.
What are the key properties of [4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 356.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 30857928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).