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

C20H21FN4O2 — CID 1469823

IUPAC(2-ethoxyphenyl)-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCC(n2nnc3cc(F)ccc32)CC1
InChIInChI=1S/C20H21FN4O2/c1-2-27-19-6-4-3-5-16(19)20(26)24-11-9-15(10-12-24)25-18-8-7-14(21)13-17(18)22-23-25/h3-8,13,15H,2,9-12H2,1H3
InChIKeyHBKYNLRMHAITDE-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.45
Rot. Bonds4

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

(2-ethoxyphenyl)-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]methanone (PubChem CID 1469823) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]methanone
PubChem CID1469823
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name(2-ethoxyphenyl)-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCC(n2nnc3cc(F)ccc32)CC1
InChIInChI=1S/C20H21FN4O2/c1-2-27-19-6-4-3-5-16(19)20(26)24-11-9-15(10-12-24)25-18-8-7-14(21)13-17(18)22-23-25/h3-8,13,15H,2,9-12H2,1H3
InChIKeyHBKYNLRMHAITDE-UHFFFAOYSA-N
XLogP3.45
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]methanone (CID 1469823) is (2-ethoxyphenyl)-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]methanone is CCOc1ccccc1C(=O)N1CCC(n2nnc3cc(F)ccc32)CC1.
What is the InChIKey of (2-ethoxyphenyl)-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is HBKYNLRMHAITDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-2-27-19-6-4-3-5-16(19)20(26)24-11-9-15(10-12-24)25-18-8-7-14(21)13-17(18)22-23-25/h3-8,13,15H,2,9-12H2,1H3.
What are the key properties of (2-ethoxyphenyl)-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]methanone?
(2-ethoxyphenyl)-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 368.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 1469823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).