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

C18H32N6O2 — CID 70774115

IUPAC2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(c2nnc(CN3CCOCC3)n2C)CC1
InChIInChI=1S/C18H32N6O2/c1-14(2)19-17(25)13-23-6-4-15(5-7-23)18-21-20-16(22(18)3)12-24-8-10-26-11-9-24/h14-15H,4-13H2,1-3H3,(H,19,25)
InChIKeyCIZVGLMWRBGJAR-UHFFFAOYSA-N
MW364.49 g/mol
LogP0.35
Rot. Bonds6

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

2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 70774115) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID70774115
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC Name2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(c2nnc(CN3CCOCC3)n2C)CC1
InChIInChI=1S/C18H32N6O2/c1-14(2)19-17(25)13-23-6-4-15(5-7-23)18-21-20-16(22(18)3)12-24-8-10-26-11-9-24/h14-15H,4-13H2,1-3H3,(H,19,25)
InChIKeyCIZVGLMWRBGJAR-UHFFFAOYSA-N
XLogP0.35
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 53601748
N-isopropyl-3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 70707648
3-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(propoxyacetyl)piperidine
CID 70714643
2-{3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}acetamide
CID 70770563
N-ethyl-N-methyl-2-{3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-2-oxoethanamine
CID 70775487
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 71892915
N-methyl-2-{3-[4-methyl-5-(4-morpholinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-2-oxoethanamine dihydrochloride
CID 70772697
morpholin-4-yl-(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 134789067
N-(2-{3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-2-oxoethyl)urea
CID 70712514
N,N-dimethyl-1-{4-methyl-5-[1-(morpholin-4-ylcarbonyl)piperidin-3-yl]-4H-1,2,4-triazol-3-yl}methanamine
CID 70714255
(3R*,5R*)-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72897240
N-{cis-3-[4-ethyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-2-morpholin-4-ylacetamide
CID 91785428

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide (CID 70774115) is 2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCC(c2nnc(CN3CCOCC3)n2C)CC1.
What is the InChIKey of 2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is CIZVGLMWRBGJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-14(2)19-17(25)13-23-6-4-15(5-7-23)18-21-20-16(22(18)3)12-24-8-10-26-11-9-24/h14-15H,4-13H2,1-3H3,(H,19,25).
What are the key properties of 2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide?
2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 364.49 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 70774115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).