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

C21H24N4O2 — CID 648039

IUPAC(2-ethoxyphenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCC(n2nnc3cc(C)ccc32)CC1
InChIInChI=1S/C21H24N4O2/c1-3-27-20-7-5-4-6-17(20)21(26)24-12-10-16(11-13-24)25-19-9-8-15(2)14-18(19)22-23-25/h4-9,14,16H,3,10-13H2,1-2H3
InChIKeyJDNMTFOIDXVXSN-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.62
Rot. Bonds4

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

(2-ethoxyphenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone (PubChem CID 648039) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone
PubChem CID648039
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(2-ethoxyphenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCC(n2nnc3cc(C)ccc32)CC1
InChIInChI=1S/C21H24N4O2/c1-3-27-20-7-5-4-6-17(20)21(26)24-12-10-16(11-13-24)25-19-9-8-15(2)14-18(19)22-23-25/h4-9,14,16H,3,10-13H2,1-2H3
InChIKeyJDNMTFOIDXVXSN-UHFFFAOYSA-N
XLogP3.62
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.62
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-methylbenzotriazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone (CID 648039) is (2-ethoxyphenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone is CCOc1ccccc1C(=O)N1CCC(n2nnc3cc(C)ccc32)CC1.
What is the InChIKey of (2-ethoxyphenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is JDNMTFOIDXVXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-27-20-7-5-4-6-17(20)21(26)24-12-10-16(11-13-24)25-19-9-8-15(2)14-18(19)22-23-25/h4-9,14,16H,3,10-13H2,1-2H3.
What are the key properties of (2-ethoxyphenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone?
(2-ethoxyphenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 3.62, 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-methylbenzotriazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 648039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).