cyclopropyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone

C13H20N4O — CID 110196456

IUPACcyclopropyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESCc1nc(CC2CCN(C(=O)C3CC3)CC2)n[nH]1
InChIInChI=1S/C13H20N4O/c1-9-14-12(16-15-9)8-10-4-6-17(7-5-10)13(18)11-2-3-11/h10-11H,2-8H2,1H3,(H,14,15,16)
InChIKeyHYZVEBOGCLDUQH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.30
Rot. Bonds3

About cyclopropyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone

cyclopropyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone (PubChem CID 110196456) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is cyclopropyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
PubChem CID110196456
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Namecyclopropyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESCc1nc(CC2CCN(C(=O)C3CC3)CC2)n[nH]1
InChIInChI=1S/C13H20N4O/c1-9-14-12(16-15-9)8-10-4-6-17(7-5-10)13(18)11-2-3-11/h10-11H,2-8H2,1H3,(H,14,15,16)
InChIKeyHYZVEBOGCLDUQH-UHFFFAOYSA-N
XLogP1.30
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide
CID 110196463
1-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
CID 64510407
1-(cyclopropanecarbonyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-3-carboxamide
CID 78928337
N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 118796064
1-[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanone
CID 97130234
[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 110096682
cyclopropyl-(4-propylazepan-1-yl)methanone
CID 49008153
1-(4-benzylpiperidin-1-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 17455132
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
cyclopropyl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200495
cyclopropyl-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 169490468
cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110736017

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone (CID 110196456) is cyclopropyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone is Cc1nc(CC2CCN(C(=O)C3CC3)CC2)n[nH]1.
What is the InChIKey of cyclopropyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is HYZVEBOGCLDUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-14-12(16-15-9)8-10-4-6-17(7-5-10)13(18)11-2-3-11/h10-11H,2-8H2,1H3,(H,14,15,16).
What are the key properties of cyclopropyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
cyclopropyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 248.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110196456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).