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

C17H28N6O2 — CID 70770872

IUPACazetidin-3-yl-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCn1c(CN2CCOCC2)nnc1C1CCCN(C(=O)C2CNC2)C1
InChIInChI=1S/C17H28N6O2/c1-21-15(12-22-5-7-25-8-6-22)19-20-16(21)13-3-2-4-23(11-13)17(24)14-9-18-10-14/h13-14,18H,2-12H2,1H3
InChIKeyLYOFANGBRNIUDN-UHFFFAOYSA-N
MW348.45 g/mol
LogP-0.43
Rot. Bonds4

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

azetidin-3-yl-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 70770872) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is azetidin-3-yl-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameazetidin-3-yl-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID70770872
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC Nameazetidin-3-yl-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCn1c(CN2CCOCC2)nnc1C1CCCN(C(=O)C2CNC2)C1
InChIInChI=1S/C17H28N6O2/c1-21-15(12-22-5-7-25-8-6-22)19-20-16(21)13-3-2-4-23(11-13)17(24)14-9-18-10-14/h13-14,18H,2-12H2,1H3
InChIKeyLYOFANGBRNIUDN-UHFFFAOYSA-N
XLogP-0.43
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of azetidin-3-yl-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 70770872) is azetidin-3-yl-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for azetidin-3-yl-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for azetidin-3-yl-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is Cn1c(CN2CCOCC2)nnc1C1CCCN(C(=O)C2CNC2)C1.
What is the InChIKey of azetidin-3-yl-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is LYOFANGBRNIUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-21-15(12-22-5-7-25-8-6-22)19-20-16(21)13-3-2-4-23(11-13)17(24)14-9-18-10-14/h13-14,18H,2-12H2,1H3.
What are the key properties of azetidin-3-yl-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
azetidin-3-yl-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 348.45 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70770872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).