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

C14H17FN4O2 — CID 649205

IUPAC1-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(n2nnc3cc(F)ccc32)CC1
InChIInChI=1S/C14H17FN4O2/c1-21-9-14(20)18-6-4-11(5-7-18)19-13-3-2-10(15)8-12(13)16-17-19/h2-3,8,11H,4-7,9H2,1H3
InChIKeyKLLYEVGGDYSWDU-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.38
Rot. Bonds3

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

1-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-2-methoxyethanone (PubChem CID 649205) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-2-methoxyethanone
PubChem CID649205
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name1-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(n2nnc3cc(F)ccc32)CC1
InChIInChI=1S/C14H17FN4O2/c1-21-9-14(20)18-6-4-11(5-7-18)19-13-3-2-10(15)8-12(13)16-17-19/h2-3,8,11H,4-7,9H2,1H3
InChIKeyKLLYEVGGDYSWDU-UHFFFAOYSA-N
XLogP1.38
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Benzotriazol-1-yl-acetic acid cyclopentylcarbamoylmethyl ester
CID 23908032
1-(morpholine-4-carbonyl)-1H-1,2,3-benzotriazole
CID 735660
(1-(4-Morpholinyl)propyl)benzotriazole, mixture of Bt1 and Bt2 isomers
CID 4639790
[4-(5-Fluoro-benzotriazol-1-yl)-piperidin-1-yl]-morpholin-4-yl-methanone
CID 649399
N-Cyclopropyl-2-[4-(5-fluoro-benzotriazol-1-yl)-piperidin-1-yl]-acetamide
CID 652281
3-Benzotriazol-1-yl-1-(4-phenyl-piperazin-1-yl)-propan-1-one
CID 653134
2-Methoxy-1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone
CID 1469604
[2-[4-(Dimethylamino)anilino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 2554025
(4-Benzotriazol-1-yl-piperidin-1-yl)-morpholin-4-yl-methanone
CID 650093
2-Benzotriazol-1-yl-1-piperidin-1-yl-ethanone
CID 863032
2-benzotriazolyl-N-butyl-N-{[N-(2-methoxyethyl)carbamoyl]methyl}acetamide
CID 3212208
2-[4-(5-Fluoro-benzotriazol-1-yl)-piperidin-1-yl]-N-(2-morpholin-4-yl-phenyl)-acetamide
CID 645201

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-2-methoxyethanone (CID 649205) is 1-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(n2nnc3cc(F)ccc32)CC1.
What is the InChIKey of 1-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-2-methoxyethanone?
The InChIKey is KLLYEVGGDYSWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-21-9-14(20)18-6-4-11(5-7-18)19-13-3-2-10(15)8-12(13)16-17-19/h2-3,8,11H,4-7,9H2,1H3.
What are the key properties of 1-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-2-methoxyethanone?
1-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-2-methoxyethanone has a molecular weight of 292.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 649205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).