(5-bromofuran-2-yl)-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone

C15H17BrN4O2 — CID 91914668

IUPAC(5-bromofuran-2-yl)-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCC(n2cnnc2C2CC2)CC1
InChIInChI=1S/C15H17BrN4O2/c16-13-4-3-12(22-13)15(21)19-7-5-11(6-8-19)20-9-17-18-14(20)10-1-2-10/h3-4,9-11H,1-2,5-8H2
InChIKeyOZDDEPZULKIJTR-UHFFFAOYSA-N
MW365.23 g/mol
LogP2.99
Rot. Bonds3

About (5-bromofuran-2-yl)-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone

(5-bromofuran-2-yl)-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone (PubChem CID 91914668) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
PubChem CID91914668
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC Name(5-bromofuran-2-yl)-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCC(n2cnnc2C2CC2)CC1
InChIInChI=1S/C15H17BrN4O2/c16-13-4-3-12(22-13)15(21)19-7-5-11(6-8-19)20-9-17-18-14(20)10-1-2-10/h3-4,9-11H,1-2,5-8H2
InChIKeyOZDDEPZULKIJTR-UHFFFAOYSA-N
XLogP2.99
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560232
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560231
(5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 124761305
1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone
CID 84581067
(5-bromofuran-2-yl)-[4-(bromomethyl)piperidin-1-yl]methanone
CID 80678565
[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 91914661
(5-bromofuran-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150950
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 106839225
(5-bromofuran-2-yl)-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 20910898
2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63869212
[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 136524748

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone (CID 91914668) is (5-bromofuran-2-yl)-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone is O=C(c1ccc(Br)o1)N1CCC(n2cnnc2C2CC2)CC1.
What is the InChIKey of (5-bromofuran-2-yl)-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is OZDDEPZULKIJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O2/c16-13-4-3-12(22-13)15(21)19-7-5-11(6-8-19)20-9-17-18-14(20)10-1-2-10/h3-4,9-11H,1-2,5-8H2.
What are the key properties of (5-bromofuran-2-yl)-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
(5-bromofuran-2-yl)-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 365.23 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 91914668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).