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

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

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Related Compounds

4-({1-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-1H-tetrazol-5-yl}methyl)morpholine
CID 24790701
3-[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 53609283
4-{[4-methyl-5-(1-methylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}morpholine
CID 70704629
N-isopropyl-3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 70707648
propyl 3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 70708723
3-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(propoxyacetyl)piperidine
CID 70714643
4-({3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}carbonyl)morpholine
CID 70720360
4-({1-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-2-methylpropanoyl]-4-piperidinyl}methyl)morpholine
CID 70745281
4-({5-[1-(cyclopentylcarbonyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70757749
2-{3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}acetamide
CID 70770563
4-({5-[1-(3-cyclopropylpropanoyl)piperidin-3-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70774416
2-[methyl({4-methyl-5-[1-(pyrrolidin-1-ylacetyl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)amino]ethanol
CID 70776891

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).