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

C17H30N6O2 — CID 70708764

IUPAC2-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1
InChIInChI=1S/C17H30N6O2/c1-18-16(25)12-23-7-3-13(4-8-23)17-20-19-15(21(17)2)11-22-9-5-14(24)6-10-22/h13-14,24H,3-12H2,1-2H3,(H,18,25)
InChIKeyQIIMWKXHBPWAPK-UHFFFAOYSA-N
MW350.47 g/mol
LogP-0.30
Rot. Bonds5

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

2-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylacetamide (PubChem CID 70708764) has the molecular formula C17H30N6O2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylacetamide
PubChem CID70708764
Molecular FormulaC17H30N6O2
Molecular Weight350.47 g/mol
Exact Mass350.24
IUPAC Name2-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1
InChIInChI=1S/C17H30N6O2/c1-18-16(25)12-23-7-3-13(4-8-23)17-20-19-15(21(17)2)11-22-9-5-14(24)6-10-22/h13-14,24H,3-12H2,1-2H3,(H,18,25)
InChIKeyQIIMWKXHBPWAPK-UHFFFAOYSA-N
XLogP-0.30
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylacetamide 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
1-{[4-methyl-5-(1-methylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-4-ol
CID 70772748
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
(3,3-difluoro-4-hydroxypiperidin-1-yl)-[5-(1-methylpiperidin-4-yl)-1H-1,2,4-triazol-3-yl]methanone
CID 137949572
N-isopropyl-2-(4-{[4-methyl-5-(piperidin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperazin-1-yl)acetamide
CID 50949560
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
N-isopropyl-2-{4-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}acetamide
CID 70774115
1-{[4-methyl-5-(1-propionylpiperidin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-4-ol
CID 70775373
1-[4-[[5-(Hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-(4-hydroxypiperidin-1-yl)ethanone
CID 50954014
2-[4-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]methyl]piperidin-1-yl]-N-methylacetamide
CID 60337942

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylacetamide (CID 70708764) is 2-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1.
What is the InChIKey of 2-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylacetamide?
The InChIKey is QIIMWKXHBPWAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O2/c1-18-16(25)12-23-7-3-13(4-8-23)17-20-19-15(21(17)2)11-22-9-5-14(24)6-10-22/h13-14,24H,3-12H2,1-2H3,(H,18,25).
What are the key properties of 2-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylacetamide?
2-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylacetamide has a molecular weight of 350.47 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 70708764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).