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

C16H16N4O2 — CID 652257

IUPAC[4-(benzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(n2nnc3ccccc32)CC1
InChIInChI=1S/C16H16N4O2/c21-16(15-6-3-11-22-15)19-9-7-12(8-10-19)20-14-5-2-1-4-13(14)17-18-20/h1-6,11-12H,7-10H2
InChIKeyPBBKKQBWHYSRBR-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.50
Rot. Bonds2

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

[4-(benzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 652257) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is [4-(benzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(benzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID652257
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name[4-(benzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(n2nnc3ccccc32)CC1
InChIInChI=1S/C16H16N4O2/c21-16(15-6-3-11-22-15)19-9-7-12(8-10-19)20-14-5-2-1-4-13(14)17-18-20/h1-6,11-12H,7-10H2
InChIKeyPBBKKQBWHYSRBR-UHFFFAOYSA-N
XLogP2.50
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]-N-furan-2-ylmethyl-2-o-tolyl-acetamide
CID 644932
2-[(2-Benzotriazol-1-yl-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-N-furan-2-ylmethyl-2-p-tolyl-acetamide
CID 648318
2-[(2-Benzotriazol-1-yl-acetyl)-phenyl-amino]-N-furan-2-ylmethyl-2-(5-methyl-furan-2-yl)-acetamide
CID 648356
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
2-[(2-Benzotriazol-1-yl-acetyl)-(2-cyclohex-1-enyl-ethyl)-amino]-N-furan-2-ylmethyl-2-pyridin-4-yl-acetamide
CID 654463
2-[(2-Benzotriazol-1-yl-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-N-furan-2-ylmethyl-2-phenyl-acetamide
CID 654646
2-[(2-Benzotriazol-1-yl-acetyl)-butyl-amino]-N-furan-2-ylmethyl-2-pyridin-4-yl-acetamide
CID 654776
2-[(2-Benzotriazol-1-yl-acetyl)-(3-ethoxy-propyl)-amino]-N-furan-2-ylmethyl-2-pyridin-4-yl-acetamide
CID 656241

Frequently Asked Questions

What is the IUPAC name of [4-(benzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(benzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone (CID 652257) is [4-(benzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(benzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(benzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC(n2nnc3ccccc32)CC1.
What is the InChIKey of [4-(benzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is PBBKKQBWHYSRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-16(15-6-3-11-22-15)19-9-7-12(8-10-19)20-14-5-2-1-4-13(14)17-18-20/h1-6,11-12H,7-10H2.
What are the key properties of [4-(benzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone?
[4-(benzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 296.33 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzotriazol-1-yl)piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 652257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).