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

C15H22N4O — CID 91909437

IUPACcyclopropyl-[4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(Cc2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C15H22N4O/c20-15(12-3-4-12)19-7-5-10(6-8-19)9-13-16-14(18-17-13)11-1-2-11/h10-12H,1-9H2,(H,16,17,18)
InChIKeySEJSZSHIRAGRII-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.87
Rot. Bonds4

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

cyclopropyl-[4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 91909437) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is cyclopropyl-[4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]methanone
PubChem CID91909437
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Namecyclopropyl-[4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(Cc2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C15H22N4O/c20-15(12-3-4-12)19-7-5-10(6-8-19)9-13-16-14(18-17-13)11-1-2-11/h10-12H,1-9H2,(H,16,17,18)
InChIKeySEJSZSHIRAGRII-UHFFFAOYSA-N
XLogP1.87
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-isobutylpyrrolidin-2-one
CID 50956691
N-cyclopropyl-2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-ethylacetamide
CID 53585275
2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 53598093
1-[4-(1-piperidinyl)butanoyl]-4-(4H-1,2,4-triazol-3-yl)piperidine
CID 72871952
4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide
CID 75463312
cyclobutyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 110196457
cyclohexyl[3-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidino]methanone
CID 53192128
2-Cyclopentyl-1-[3-(5-cyclopropyl-4H-1,2,4-triazol-3-YL)piperidino]-1-ethanone
CID 53192195
cyclopentyl[3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino]methanone
CID 53192204
Cyclohexyl[3-(5-cyclopropyl-4H-1,2,4-triazol-3-YL)piperidino]methanone
CID 53192219
n-[(3s,4s)-4-(3-Methyl-1h-1,2,4-triazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 86820534
3-cyclopentyl-1-[4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 91920138

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]methanone (CID 91909437) is cyclopropyl-[4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(Cc2nc(C3CC3)n[nH]2)CC1.
What is the InChIKey of cyclopropyl-[4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is SEJSZSHIRAGRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c20-15(12-3-4-12)19-7-5-10(6-8-19)9-13-16-14(18-17-13)11-1-2-11/h10-12H,1-9H2,(H,16,17,18).
What are the key properties of cyclopropyl-[4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]methanone?
cyclopropyl-[4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 274.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91909437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).