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

C15H26N6O2 — CID 70770563

IUPAC2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
SMILESCn1c(CN2CCOCC2)nnc1C1CCCN(CC(N)=O)C1
InChIInChI=1S/C15H26N6O2/c1-19-14(11-20-5-7-23-8-6-20)17-18-15(19)12-3-2-4-21(9-12)10-13(16)22/h12H,2-11H2,1H3,(H2,16,22)
InChIKeyVHKRWLPLTJOZCH-UHFFFAOYSA-N
MW322.41 g/mol
LogP-0.69
Rot. Bonds5

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

2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide (PubChem CID 70770563) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
PubChem CID70770563
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC Name2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
SMILESCn1c(CN2CCOCC2)nnc1C1CCCN(CC(N)=O)C1
InChIInChI=1S/C15H26N6O2/c1-19-14(11-20-5-7-23-8-6-20)17-18-15(19)12-3-2-4-21(9-12)10-13(16)22/h12H,2-11H2,1H3,(H2,16,22)
InChIKeyVHKRWLPLTJOZCH-UHFFFAOYSA-N
XLogP-0.69
TPSA89.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide (CID 70770563) is 2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide is Cn1c(CN2CCOCC2)nnc1C1CCCN(CC(N)=O)C1.
What is the InChIKey of 2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The InChIKey is VHKRWLPLTJOZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-19-14(11-20-5-7-23-8-6-20)17-18-15(19)12-3-2-4-21(9-12)10-13(16)22/h12H,2-11H2,1H3,(H2,16,22).
What are the key properties of 2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide has a molecular weight of 322.41 g/mol, XLogP of -0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 70770563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).