furan-2-yl-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone

C18H19N5O2 — CID 67516332

IUPACfuran-2-yl-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone
SMILESCc1cccc(-n2nnc(C3CCCCN3C(=O)c3ccco3)n2)c1
InChIInChI=1S/C18H19N5O2/c1-13-6-4-7-14(12-13)23-20-17(19-21-23)15-8-2-3-10-22(15)18(24)16-9-5-11-25-16/h4-7,9,11-12,15H,2-3,8,10H2,1H3
InChIKeyIFFSFDHFOKLTTJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.93
Rot. Bonds3

About furan-2-yl-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone

furan-2-yl-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 67516332) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is furan-2-yl-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone
PubChem CID67516332
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Namefuran-2-yl-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone
SMILESCc1cccc(-n2nnc(C3CCCCN3C(=O)c3ccco3)n2)c1
InChIInChI=1S/C18H19N5O2/c1-13-6-4-7-14(12-13)23-20-17(19-21-23)15-8-2-3-10-22(15)18(24)16-9-5-11-25-16/h4-7,9,11-12,15H,2-3,8,10H2,1H3
InChIKeyIFFSFDHFOKLTTJ-UHFFFAOYSA-N
XLogP2.93
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-bromocyclopenta-1,3-dien-1-yl)-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone
CID 143434663
(5-bromofuran-2-yl)-[2-[2-(3-bromophenyl)tetrazol-5-yl]piperidin-1-yl]methanone;(2,5-dimethylfuran-3-yl)-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone
CID 157487083
(5-bromofuran-2-yl)-[2-[2-(3-chlorophenyl)tetrazol-5-yl]pyrrolidin-1-yl]methanone
CID 143434727
[1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 51263192
3-[5-[1-(2-methylbutanoyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile
CID 70315288
furan-2-yl-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731513
(2R)-2-[2-(3-cyanophenyl)tetrazol-5-yl]pyrrolidine-1-carbothioic S-acid
CID 141188437
[1-(furan-2-carbonyl)piperidin-2-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 55975025
furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 60716835
2-phenoxy-1-[(2R)-2-(2-phenyltetrazol-5-yl)piperidin-1-yl]ethanone
CID 118738119
furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91822619
(3-methylphenyl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 110194764

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone (CID 67516332) is furan-2-yl-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone is Cc1cccc(-n2nnc(C3CCCCN3C(=O)c3ccco3)n2)c1.
What is the InChIKey of furan-2-yl-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is IFFSFDHFOKLTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13-6-4-7-14(12-13)23-20-17(19-21-23)15-8-2-3-10-22(15)18(24)16-9-5-11-25-16/h4-7,9,11-12,15H,2-3,8,10H2,1H3.
What are the key properties of furan-2-yl-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone?
furan-2-yl-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 337.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 67516332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).