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

C17H21N5O — CID 91913578

IUPACcyclobutyl-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCCCC1c1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C17H21N5O/c23-17(13-4-3-5-13)22-11-2-1-6-14(22)16-19-15(20-21-16)12-7-9-18-10-8-12/h7-10,13-14H,1-6,11H2,(H,19,20,21)
InChIKeyKXTABISVPUVJGJ-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.72
Rot. Bonds3

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

cyclobutyl-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 91913578) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is cyclobutyl-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID91913578
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Namecyclobutyl-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCCCC1c1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C17H21N5O/c23-17(13-4-3-5-13)22-11-2-1-6-14(22)16-19-15(20-21-16)12-7-9-18-10-8-12/h7-10,13-14H,1-6,11H2,(H,19,20,21)
InChIKeyKXTABISVPUVJGJ-UHFFFAOYSA-N
XLogP2.72
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclobutyl-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

N-cyclopentyl-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 91903863
cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110218063
[1-(4-fluorophenyl)cyclopentyl]-[(2R)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 51492718
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
2-phenoxy-1-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 68687362
cyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95730645
5-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 127712850
[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone
CID 127688943
2-[(2S)-1-(cyclobutanecarbonyl)piperidin-2-yl]-7-(pyridine-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136682425
(3-methoxyphenyl)-[2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 91913590
1-[(2R)-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68689661
2-cyclopentyl-1-[(3S)-3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 95111158

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 91913578) is cyclobutyl-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is O=C(C1CCC1)N1CCCCC1c1nc(-c2ccncc2)n[nH]1.
What is the InChIKey of cyclobutyl-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is KXTABISVPUVJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c23-17(13-4-3-5-13)22-11-2-1-6-14(22)16-19-15(20-21-16)12-7-9-18-10-8-12/h7-10,13-14H,1-6,11H2,(H,19,20,21).
What are the key properties of cyclobutyl-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
cyclobutyl-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 311.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 91913578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).