[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone

C16H15FN4O2 — CID 1469825

IUPAC[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(n2nnc3cc(F)ccc32)CC1
InChIInChI=1S/C16H15FN4O2/c17-11-3-4-14-13(10-11)18-19-21(14)12-5-7-20(8-6-12)16(22)15-2-1-9-23-15/h1-4,9-10,12H,5-8H2
InChIKeyJTRBLXZKRWRFRR-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.64
Rot. Bonds2

About [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone

[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 1469825) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID1469825
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(n2nnc3cc(F)ccc32)CC1
InChIInChI=1S/C16H15FN4O2/c17-11-3-4-14-13(10-11)18-19-21(14)12-5-7-20(8-6-12)16(22)15-2-1-9-23-15/h1-4,9-10,12H,5-8H2
InChIKeyJTRBLXZKRWRFRR-UHFFFAOYSA-N
XLogP2.64
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Furoyl)-1H-benzotriazole
CID 792914
[4-(1-Ethyl-1H-benzoimidazol-2-yl)-piperazin-1-yl]-furan-2-yl-methanone
CID 24746801
2-[(2-Benzotriazol-1-yl-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-2-(4-fluoro-phenyl)-N-furan-2-ylmethyl-acetamide
CID 649285
2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(2-furanylmethyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 650168
2-[(2-Benzotriazol-1-yl-acetyl)-furan-2-ylmethyl-amino]-N-cyclohexyl-2-(4-fluoro-phenyl)-acetamide
CID 651373
(4-Benzotriazol-1-yl-piperidin-1-yl)-furan-2-yl-methanone
CID 652257
Furan-2-carboxylic acid (2-phenyl-2H-benzotriazol-5-yl)-amide
CID 3126582
2-[4-(5-Fluoro-benzotriazol-1-yl)-piperidin-1-yl]-N-furan-2-ylmethyl-acetamide
CID 6602598
N'-[2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetyl]furan-2-carbohydrazide
CID 3229047
N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]furan-2-carbohydrazide
CID 3229048
Furan-2-carboxylic acid (4-benzotriazol-1-ylmethyl-phenyl)-amide
CID 645142
2-[(2-Benzotriazol-1-yl-acetyl)-furan-2-ylmethyl-amino]-N-(1,1-dimethyl-propyl)-2-(2-fluoro-phenyl)-acetamide
CID 653611

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone (CID 1469825) is [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC(n2nnc3cc(F)ccc32)CC1.
What is the InChIKey of [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is JTRBLXZKRWRFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c17-11-3-4-14-13(10-11)18-19-21(14)12-5-7-20(8-6-12)16(22)15-2-1-9-23-15/h1-4,9-10,12H,5-8H2.
What are the key properties of [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone?
[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 314.32 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 1469825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).