cyclopentyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

C18H31N5O2 — CID 70765363

IUPACcyclopentyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCN(CCO)Cc1nnc(C2CCN(C(=O)C3CCCC3)CC2)n1C
InChIInChI=1S/C18H31N5O2/c1-21(11-12-24)13-16-19-20-17(22(16)2)14-7-9-23(10-8-14)18(25)15-5-3-4-6-15/h14-15,24H,3-13H2,1-2H3
InChIKeyVFRBIZBUZUMFDX-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.14
Rot. Bonds6

About cyclopentyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

cyclopentyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 70765363) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is cyclopentyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID70765363
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Namecyclopentyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCN(CCO)Cc1nnc(C2CCN(C(=O)C3CCCC3)CC2)n1C
InChIInChI=1S/C18H31N5O2/c1-21(11-12-24)13-16-19-20-17(22(16)2)14-7-9-23(10-8-14)18(25)15-5-3-4-6-15/h14-15,24H,3-13H2,1-2H3
InChIKeyVFRBIZBUZUMFDX-UHFFFAOYSA-N
XLogP1.14
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cyclopentyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

1-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 70788572
1-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylsulfanylethanone
CID 72857711
[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 70782381
cycloheptyl-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70750964
1-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-phenylethanone
CID 70761971
[4-[5-(azepan-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-cyclopropylmethanone
CID 72907262
cyclopropyl-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70752240
2-[[5-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol
CID 70778768
cyclopentyl-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70786110
2-[[5-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol
CID 70781839
2-[[5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl-methylamino]ethanol
CID 70724624
cyclopropyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70766585

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 70765363) is cyclopentyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is CN(CCO)Cc1nnc(C2CCN(C(=O)C3CCCC3)CC2)n1C.
What is the InChIKey of cyclopentyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is VFRBIZBUZUMFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-21(11-12-24)13-16-19-20-17(22(16)2)14-7-9-23(10-8-14)18(25)15-5-3-4-6-15/h14-15,24H,3-13H2,1-2H3.
What are the key properties of cyclopentyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
cyclopentyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 349.48 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70765363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).