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

C18H32N6O2 — CID 70775487

IUPAC2-[ethyl(methyl)amino]-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
SMILESCCN(C)CC(=O)N1CCCC(c2nnc(CN3CCOCC3)n2C)C1
InChIInChI=1S/C18H32N6O2/c1-4-21(2)14-17(25)24-7-5-6-15(12-24)18-20-19-16(22(18)3)13-23-8-10-26-11-9-23/h15H,4-14H2,1-3H3
InChIKeyVHFJUOPUQBEDNY-UHFFFAOYSA-N
MW364.49 g/mol
LogP0.31
Rot. Bonds6

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

2-[ethyl(methyl)amino]-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 70775487) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
PubChem CID70775487
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC Name2-[ethyl(methyl)amino]-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
SMILESCCN(C)CC(=O)N1CCCC(c2nnc(CN3CCOCC3)n2C)C1
InChIInChI=1S/C18H32N6O2/c1-4-21(2)14-17(25)24-7-5-6-15(12-24)18-20-19-16(22(18)3)13-23-8-10-26-11-9-23/h15H,4-14H2,1-3H3
InChIKeyVHFJUOPUQBEDNY-UHFFFAOYSA-N
XLogP0.31
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-[ethyl(methyl)amino]-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone (CID 70775487) is 2-[ethyl(methyl)amino]-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[ethyl(methyl)amino]-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-[ethyl(methyl)amino]-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone is CCN(C)CC(=O)N1CCCC(c2nnc(CN3CCOCC3)n2C)C1.
What is the InChIKey of 2-[ethyl(methyl)amino]-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is VHFJUOPUQBEDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-4-21(2)14-17(25)24-7-5-6-15(12-24)18-20-19-16(22(18)3)13-23-8-10-26-11-9-23/h15H,4-14H2,1-3H3.
What are the key properties of 2-[ethyl(methyl)amino]-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
2-[ethyl(methyl)amino]-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 364.49 g/mol, XLogP of 0.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 70775487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).