cyclobutyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

C18H29N5O2 — CID 70740490

IUPACcyclobutyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C18H29N5O2/c1-21-16(13-22-9-11-25-12-10-22)19-20-17(21)14-5-7-23(8-6-14)18(24)15-3-2-4-15/h14-15H,2-13H2,1H3
InChIKeyFQMOHUQBBYFFRI-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.15
Rot. Bonds4

About cyclobutyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

cyclobutyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 70740490) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is cyclobutyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID70740490
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Namecyclobutyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C18H29N5O2/c1-21-16(13-22-9-11-25-12-10-22)19-20-17(21)14-5-7-23(8-6-14)18(24)15-3-2-4-15/h14-15H,2-13H2,1H3
InChIKeyFQMOHUQBBYFFRI-UHFFFAOYSA-N
XLogP1.15
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 70740490) is cyclobutyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is Cn1c(CN2CCOCC2)nnc1C1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of cyclobutyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is FQMOHUQBBYFFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-21-16(13-22-9-11-25-12-10-22)19-20-17(21)14-5-7-23(8-6-14)18(24)15-3-2-4-15/h14-15H,2-13H2,1H3.
What are the key properties of cyclobutyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
cyclobutyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 347.46 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70740490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).