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

C18H26N6O — CID 72896190

IUPACcyclobutyl-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCc1nccn1Cc1nnc(C2CCN(C(=O)C3CCC3)CC2)n1C
InChIInChI=1S/C18H26N6O/c1-13-19-8-11-24(13)12-16-20-21-17(22(16)2)14-6-9-23(10-7-14)18(25)15-4-3-5-15/h8,11,14-15H,3-7,9-10,12H2,1-2H3
InChIKeyRSYZPTDHCYLWKH-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.87
Rot. Bonds4

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

cyclobutyl-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 72896190) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is cyclobutyl-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID72896190
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Namecyclobutyl-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCc1nccn1Cc1nnc(C2CCN(C(=O)C3CCC3)CC2)n1C
InChIInChI=1S/C18H26N6O/c1-13-19-8-11-24(13)12-16-20-21-17(22(16)2)14-6-9-23(10-7-14)18(25)15-4-3-5-15/h8,11,14-15H,3-7,9-10,12H2,1-2H3
InChIKeyRSYZPTDHCYLWKH-UHFFFAOYSA-N
XLogP1.87
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 72883167
4-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-4-oxobutanamide
CID 72909332
[4-[5-(azepan-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-cyclopropylmethanone
CID 72907262
cycloheptyl-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70750964
2-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
CID 72899691
2-methoxy-1-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 72925022
2-(methylamino)-1-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 72927433
[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 72883303
4-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 72934485
4,6-dimethyl-2-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 72882667
2-(2-methylimidazol-1-yl)-1-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 70732883
3-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 72888558

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 72896190) is cyclobutyl-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is Cc1nccn1Cc1nnc(C2CCN(C(=O)C3CCC3)CC2)n1C.
What is the InChIKey of cyclobutyl-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is RSYZPTDHCYLWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13-19-8-11-24(13)12-16-20-21-17(22(16)2)14-6-9-23(10-7-14)18(25)15-4-3-5-15/h8,11,14-15H,3-7,9-10,12H2,1-2H3.
What are the key properties of cyclobutyl-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
cyclobutyl-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 342.45 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72896190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).