(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

C37H38Br2N10O4 — CID 157487083

IUPAC(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
SMILESCc1cccc(-n2nnc(C3CCCCN3C(=O)c3cc(C)oc3C)n2)c1.O=C(c1ccc(Br)o1)N1CCCCC1c1nnn(-c2cccc(Br)c2)n1
InChIInChI=1S/C20H23N5O2.C17H15Br2N5O2/c1-13-7-6-8-16(11-13)25-22-19(21-23-25)18-9-4-5-10-24(18)20(26)17-12-14(2)27-15(17)3;18-11-4-3-5-12(10-11)24-21-16(20-22-24)13-6-1-2-9-23(13)17(25)14-7-8-15(19)26-14/h6-8,11-12,18H,4-5,9-10H2,1-3H3;3-5,7-8,10,13H,1-2,6,9H2
InChIKeyBWVPJDKBCWXFQC-UHFFFAOYSA-N
MW846.58 g/mol
LogP7.70
Rot. Bonds6

About (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

(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 (PubChem CID 157487083) has the molecular formula C37H38Br2N10O4 and a molecular weight of 846.58 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID157487083
Molecular FormulaC37H38Br2N10O4
Molecular Weight846.58 g/mol
Exact Mass844.14
IUPAC Name(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
SMILESCc1cccc(-n2nnc(C3CCCCN3C(=O)c3cc(C)oc3C)n2)c1.O=C(c1ccc(Br)o1)N1CCCCC1c1nnn(-c2cccc(Br)c2)n1
InChIInChI=1S/C20H23N5O2.C17H15Br2N5O2/c1-13-7-6-8-16(11-13)25-22-19(21-23-25)18-9-4-5-10-24(18)20(26)17-12-14(2)27-15(17)3;18-11-4-3-5-12(10-11)24-21-16(20-22-24)13-6-1-2-9-23(13)17(25)14-7-8-15(19)26-14/h6-8,11-12,18H,4-5,9-10H2,1-3H3;3-5,7-8,10,13H,1-2,6,9H2
InChIKeyBWVPJDKBCWXFQC-UHFFFAOYSA-N
XLogP7.70
TPSA154.10 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500846.58
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze (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 with MolForge

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Related Compounds

(5-bromofuran-2-yl)-[2-[2-(3-chlorophenyl)tetrazol-5-yl]pyrrolidin-1-yl]methanone
CID 143434727
furan-2-yl-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone
CID 67516332
(4-bromocyclopenta-1,3-dien-1-yl)-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone
CID 143434663
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 97003434
3-[5-[1-(oxolane-2-carbonyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile
CID 143434669
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 35523795
3-[5-[1-(2-methylbutanoyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile
CID 70315288
(5-bromofuran-2-yl)-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 163339649
[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 90564606
(5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 60715504
(2S)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylate
CID 7414507
(2R)-2-[2-(3-cyanophenyl)tetrazol-5-yl]pyrrolidine-1-carbothioic S-acid
CID 141188437

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cccc(-n2nnc(C3CCCCN3C(=O)c3cc(C)oc3C)n2)c1.O=C(c1ccc(Br)o1)N1CCCCC1c1nnn(-c2cccc(Br)c2)n1.
What is the InChIKey of (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?
The InChIKey is BWVPJDKBCWXFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2.C17H15Br2N5O2/c1-13-7-6-8-16(11-13)25-22-19(21-23-25)18-9-4-5-10-24(18)20(26)17-12-14(2)27-15(17)3;18-11-4-3-5-12(10-11)24-21-16(20-22-24)13-6-1-2-9-23(13)17(25)14-7-8-15(19)26-14/h6-8,11-12,18H,4-5,9-10H2,1-3H3;3-5,7-8,10,13H,1-2,6,9H2.
What are the key properties of (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?
(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 has a molecular weight of 846.58 g/mol, XLogP of 7.70, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 157487083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).