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

C17H16ClN5O2 — CID 154801117

IUPAC[5-(2-chlorophenyl)furan-2-yl]-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2Cl)o1)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C17H16ClN5O2/c18-13-6-2-1-5-12(13)14-7-8-15(25-14)17(24)23-9-3-4-11(10-23)16-19-21-22-20-16/h1-2,5-8,11H,3-4,9-10H2,(H,19,20,21,22)
InChIKeyQDJODMXWGXEFGG-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.13
Rot. Bonds3

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

[5-(2-chlorophenyl)furan-2-yl]-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 154801117) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is [5-(2-chlorophenyl)furan-2-yl]-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2-chlorophenyl)furan-2-yl]-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID154801117
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name[5-(2-chlorophenyl)furan-2-yl]-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2Cl)o1)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C17H16ClN5O2/c18-13-6-2-1-5-12(13)14-7-8-15(25-14)17(24)23-9-3-4-11(10-23)16-19-21-22-20-16/h1-2,5-8,11H,3-4,9-10H2,(H,19,20,21,22)
InChIKeyQDJODMXWGXEFGG-UHFFFAOYSA-N
XLogP3.13
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(2-chlorophenyl)furan-2-yl]-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 18105311
[5-(2-chlorophenyl)furan-2-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 70744841
(3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 119113435
(3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 97240858
[5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 42000409
ethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate
CID 27555148
(4-benzyl-1,4-diazepan-1-yl)-[5-(2-chlorophenyl)furan-2-yl]methanone
CID 18157487
[5-(2-chlorophenyl)furan-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56888923
(1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 97328635
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[5-(2-chlorophenyl)furan-2-yl]methanone
CID 46653955
1-[5-(2-chlorophenyl)furan-2-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119145
1-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021600

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)furan-2-yl]-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-(2-chlorophenyl)furan-2-yl]-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (CID 154801117) is [5-(2-chlorophenyl)furan-2-yl]-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(2-chlorophenyl)furan-2-yl]-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(2-chlorophenyl)furan-2-yl]-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is O=C(c1ccc(-c2ccccc2Cl)o1)N1CCCC(c2nn[nH]n2)C1.
What is the InChIKey of [5-(2-chlorophenyl)furan-2-yl]-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is QDJODMXWGXEFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c18-13-6-2-1-5-12(13)14-7-8-15(25-14)17(24)23-9-3-4-11(10-23)16-19-21-22-20-16/h1-2,5-8,11H,3-4,9-10H2,(H,19,20,21,22).
What are the key properties of [5-(2-chlorophenyl)furan-2-yl]-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
[5-(2-chlorophenyl)furan-2-yl]-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 357.80 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)furan-2-yl]-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 154801117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).