(3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

C17H17N5O2 — CID 97240858

IUPAC(3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1occc1-c1ccccc1)N1CCC[C@@H](c2nn[nH]n2)C1
InChIInChI=1S/C17H17N5O2/c23-17(15-14(8-10-24-15)12-5-2-1-3-6-12)22-9-4-7-13(11-22)16-18-20-21-19-16/h1-3,5-6,8,10,13H,4,7,9,11H2,(H,18,19,20,21)/t13-/m1/s1
InChIKeyJLHFVCUDZDOPJO-CYBMUJFWSA-N
MW323.36 g/mol
LogP2.48
Rot. Bonds3

About (3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

(3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 97240858) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is (3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID97240858
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name(3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1occc1-c1ccccc1)N1CCC[C@@H](c2nn[nH]n2)C1
InChIInChI=1S/C17H17N5O2/c23-17(15-14(8-10-24-15)12-5-2-1-3-6-12)22-9-4-7-13(11-22)16-18-20-21-19-16/h1-3,5-6,8,10,13H,4,7,9,11H2,(H,18,19,20,21)/t13-/m1/s1
InChIKeyJLHFVCUDZDOPJO-CYBMUJFWSA-N
XLogP2.48
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone
CID 95978611
[5-(2-chlorophenyl)furan-2-yl]-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 154801117
N-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079183
[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
CID 166320388
(1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 97328635
(4-benzylpiperidin-1-yl)-(3-phenylfuran-2-yl)methanone
CID 30532143
(4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 75435150
4-(3-phenylfuran-2-carbonyl)piperazine-2,6-dione
CID 66084701
(3R)-3-(2-fluorophenyl)-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one
CID 97086390
(3S)-3-(2-fluorophenyl)-1-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]butan-1-one
CID 97086387
1-[2-oxo-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one
CID 138995695
N-[1-(3-phenylfuran-2-carbonyl)piperidin-4-yl]benzamide
CID 30545510

Frequently Asked Questions

What is the IUPAC name of (3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (CID 97240858) is (3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is O=C(c1occc1-c1ccccc1)N1CCC[C@@H](c2nn[nH]n2)C1.
What is the InChIKey of (3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is JLHFVCUDZDOPJO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17N5O2/c23-17(15-14(8-10-24-15)12-5-2-1-3-6-12)22-9-4-7-13(11-22)16-18-20-21-19-16/h1-3,5-6,8,10,13H,4,7,9,11H2,(H,18,19,20,21)/t13-/m1/s1.
What are the key properties of (3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
(3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 323.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylfuran-2-yl)-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 97240858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).