cyclobutyl-[4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone

C15H24N4O2 — CID 91914693

IUPACcyclobutyl-[4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone
SMILESCOCCc1nncn1C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C15H24N4O2/c1-21-10-7-14-17-16-11-19(14)13-5-8-18(9-6-13)15(20)12-3-2-4-12/h11-13H,2-10H2,1H3
InChIKeyCVTFRFOMDQZJTF-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.43
Rot. Bonds5

About cyclobutyl-[4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone

cyclobutyl-[4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone (PubChem CID 91914693) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is cyclobutyl-[4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone
PubChem CID91914693
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Namecyclobutyl-[4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone
SMILESCOCCc1nncn1C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C15H24N4O2/c1-21-10-7-14-17-16-11-19(14)13-5-8-18(9-6-13)15(20)12-3-2-4-12/h11-13H,2-10H2,1H3
InChIKeyCVTFRFOMDQZJTF-UHFFFAOYSA-N
XLogP1.43
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone (CID 91914693) is cyclobutyl-[4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone is COCCc1nncn1C1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of cyclobutyl-[4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone?
The InChIKey is CVTFRFOMDQZJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-21-10-7-14-17-16-11-19(14)13-5-8-18(9-6-13)15(20)12-3-2-4-12/h11-13H,2-10H2,1H3.
What are the key properties of cyclobutyl-[4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone?
cyclobutyl-[4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone has a molecular weight of 292.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91914693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).