[5-methyl-2-(triazol-2-yl)phenyl]-(3-naphthalen-1-yloxypiperidin-1-yl)methanone

C25H24N4O2 — CID 118726305

IUPAC[5-methyl-2-(triazol-2-yl)phenyl]-(3-naphthalen-1-yloxypiperidin-1-yl)methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCCC(Oc3cccc4ccccc34)C2)c1
InChIInChI=1S/C25H24N4O2/c1-18-11-12-23(29-26-13-14-27-29)22(16-18)25(30)28-15-5-8-20(17-28)31-24-10-4-7-19-6-2-3-9-21(19)24/h2-4,6-7,9-14,16,20H,5,8,15,17H2,1H3
InChIKeyXGJFQXRSZAUGJO-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.41
Rot. Bonds4

About [5-methyl-2-(triazol-2-yl)phenyl]-(3-naphthalen-1-yloxypiperidin-1-yl)methanone

[5-methyl-2-(triazol-2-yl)phenyl]-(3-naphthalen-1-yloxypiperidin-1-yl)methanone (PubChem CID 118726305) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is [5-methyl-2-(triazol-2-yl)phenyl]-(3-naphthalen-1-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-methyl-2-(triazol-2-yl)phenyl]-(3-naphthalen-1-yloxypiperidin-1-yl)methanone
PubChem CID118726305
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name[5-methyl-2-(triazol-2-yl)phenyl]-(3-naphthalen-1-yloxypiperidin-1-yl)methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCCC(Oc3cccc4ccccc34)C2)c1
InChIInChI=1S/C25H24N4O2/c1-18-11-12-23(29-26-13-14-27-29)22(16-18)25(30)28-15-5-8-20(17-28)31-24-10-4-7-19-6-2-3-9-21(19)24/h2-4,6-7,9-14,16,20H,5,8,15,17H2,1H3
InChIKeyXGJFQXRSZAUGJO-UHFFFAOYSA-N
XLogP4.41
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(triazol-2-yl)phenyl]-(3-naphthalen-1-yloxypiperidin-1-yl)methanone?
The IUPAC name of [5-methyl-2-(triazol-2-yl)phenyl]-(3-naphthalen-1-yloxypiperidin-1-yl)methanone (CID 118726305) is [5-methyl-2-(triazol-2-yl)phenyl]-(3-naphthalen-1-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [5-methyl-2-(triazol-2-yl)phenyl]-(3-naphthalen-1-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [5-methyl-2-(triazol-2-yl)phenyl]-(3-naphthalen-1-yloxypiperidin-1-yl)methanone is Cc1ccc(-n2nccn2)c(C(=O)N2CCCC(Oc3cccc4ccccc34)C2)c1.
What is the InChIKey of [5-methyl-2-(triazol-2-yl)phenyl]-(3-naphthalen-1-yloxypiperidin-1-yl)methanone?
The InChIKey is XGJFQXRSZAUGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-18-11-12-23(29-26-13-14-27-29)22(16-18)25(30)28-15-5-8-20(17-28)31-24-10-4-7-19-6-2-3-9-21(19)24/h2-4,6-7,9-14,16,20H,5,8,15,17H2,1H3.
What are the key properties of [5-methyl-2-(triazol-2-yl)phenyl]-(3-naphthalen-1-yloxypiperidin-1-yl)methanone?
[5-methyl-2-(triazol-2-yl)phenyl]-(3-naphthalen-1-yloxypiperidin-1-yl)methanone has a molecular weight of 412.49 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(triazol-2-yl)phenyl]-(3-naphthalen-1-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 118726305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).