N-ethyl-2-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide

C18H32N6O2 — CID 70708063

IUPACN-ethyl-2-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
SMILESCCNC(=O)CN1CCCC(c2nnc(CN3CCC(O)CC3)n2C)C1
InChIInChI=1S/C18H32N6O2/c1-3-19-17(26)13-24-8-4-5-14(11-24)18-21-20-16(22(18)2)12-23-9-6-15(25)7-10-23/h14-15,25H,3-13H2,1-2H3,(H,19,26)
InChIKeyVIWXLYNGQQFXSO-UHFFFAOYSA-N
MW364.49 g/mol
LogP0.09
Rot. Bonds6

About N-ethyl-2-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide

N-ethyl-2-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide (PubChem CID 70708063) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-ethyl-2-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
PubChem CID70708063
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC NameN-ethyl-2-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
SMILESCCNC(=O)CN1CCCC(c2nnc(CN3CCC(O)CC3)n2C)C1
InChIInChI=1S/C18H32N6O2/c1-3-19-17(26)13-24-8-4-5-14(11-24)18-21-20-16(22(18)2)12-23-9-6-15(25)7-10-23/h14-15,25H,3-13H2,1-2H3,(H,19,26)
InChIKeyVIWXLYNGQQFXSO-UHFFFAOYSA-N
XLogP0.09
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-ethyl-2-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide with MolForge

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Related Compounds

1-({5-[1-(azetidin-3-ylcarbonyl)piperidin-3-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)piperidin-4-ol
CID 70766809
N-methyl-2-{3-[4-methyl-5-(4-morpholinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-2-oxoethanamine dihydrochloride
CID 70772697
1-{[5-(1,4'-bipiperidin-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-piperidinol dihydrochloride
CID 70706827
N-(2-{3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-2-oxoethyl)urea
CID 70712514
1-{[5-(1-beta-alanyl-3-piperidinyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-piperidinol dihydrochloride
CID 70722457
1-({5-[1-(cyclopropylacetyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)piperidin-4-ol
CID 70715452
N-isopropyl-2-(4-{[4-methyl-5-(piperidin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperazin-1-yl)acetamide
CID 50949560
2-(4-{5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}piperidin-1-yl)-N-methylacetamide
CID 70708764
1-({5-[1-(cyclopropylcarbonyl)piperidin-3-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)piperidin-4-ol
CID 70734371
3-{4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-3-oxopropan-1-ol
CID 70741819
1-({5-[1-(3,3-dimethylbutyl)piperidin-3-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)piperidin-4-ol
CID 70758600
1-{[4-methyl-5-(1-propionylpiperidin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-4-ol
CID 70775373

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide (CID 70708063) is N-ethyl-2-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide is CCNC(=O)CN1CCCC(c2nnc(CN3CCC(O)CC3)n2C)C1.
What is the InChIKey of N-ethyl-2-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The InChIKey is VIWXLYNGQQFXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-3-19-17(26)13-24-8-4-5-14(11-24)18-21-20-16(22(18)2)12-23-9-6-15(25)7-10-23/h14-15,25H,3-13H2,1-2H3,(H,19,26).
What are the key properties of N-ethyl-2-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
N-ethyl-2-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 70708063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).