4-methoxy-1-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]piperidine

C16H24N4O3 — CID 136541062

IUPAC4-methoxy-1-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]piperidine
SMILESCOCCn1c(-c2ccc(C)o2)nnc1N1CCC(OC)CC1
InChIInChI=1S/C16H24N4O3/c1-12-4-5-14(23-12)15-17-18-16(20(15)10-11-21-2)19-8-6-13(22-3)7-9-19/h4-5,13H,6-11H2,1-3H3
InChIKeyCYAJWLQLCUAZRN-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.11
Rot. Bonds6

About 4-methoxy-1-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]piperidine

4-methoxy-1-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]piperidine (PubChem CID 136541062) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-methoxy-1-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name4-methoxy-1-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]piperidine
PubChem CID136541062
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name4-methoxy-1-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]piperidine
SMILESCOCCn1c(-c2ccc(C)o2)nnc1N1CCC(OC)CC1
InChIInChI=1S/C16H24N4O3/c1-12-4-5-14(23-12)15-17-18-16(20(15)10-11-21-2)19-8-6-13(22-3)7-9-19/h4-5,13H,6-11H2,1-3H3
InChIKeyCYAJWLQLCUAZRN-UHFFFAOYSA-N
XLogP2.11
TPSA65.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 4-methoxy-1-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]piperidine (CID 136541062) is 4-methoxy-1-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 4-methoxy-1-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 4-methoxy-1-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]piperidine is COCCn1c(-c2ccc(C)o2)nnc1N1CCC(OC)CC1.
What is the InChIKey of 4-methoxy-1-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]piperidine?
The InChIKey is CYAJWLQLCUAZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-12-4-5-14(23-12)15-17-18-16(20(15)10-11-21-2)19-8-6-13(22-3)7-9-19/h4-5,13H,6-11H2,1-3H3.
What are the key properties of 4-methoxy-1-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]piperidine?
4-methoxy-1-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]piperidine has a molecular weight of 320.39 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 136541062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).