N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide

C18H25N7O2 — CID 91779265

IUPACN-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCn1c(Cn2cccn2)nnc1C1CC(NC(=O)CN2CCCCC2=O)C1
InChIInChI=1S/C18H25N7O2/c1-23-15(11-25-8-4-6-19-25)21-22-18(23)13-9-14(10-13)20-16(26)12-24-7-3-2-5-17(24)27/h4,6,8,13-14H,2-3,5,7,9-12H2,1H3,(H,20,26)
InChIKeyVUEXWMCDXIVHLH-UHFFFAOYSA-N
MW371.45 g/mol
LogP0.43
Rot. Bonds6

About N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide

N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 91779265) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID91779265
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC NameN-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCn1c(Cn2cccn2)nnc1C1CC(NC(=O)CN2CCCCC2=O)C1
InChIInChI=1S/C18H25N7O2/c1-23-15(11-25-8-4-6-19-25)21-22-18(23)13-9-14(10-13)20-16(26)12-24-7-3-2-5-17(24)27/h4,6,8,13-14H,2-3,5,7,9-12H2,1H3,(H,20,26)
InChIKeyVUEXWMCDXIVHLH-UHFFFAOYSA-N
XLogP0.43
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide
CID 91782556
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide
CID 91789799
1-methyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyrazole-4-carboxamide
CID 91781383
2-(methylamino)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide
CID 91778782
5-fluoro-2-hydroxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide
CID 91796886
5-fluoro-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-3-carboxamide
CID 91787315
2-fluoro-3-methoxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide
CID 91791372
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 72855156
[2-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea
CID 72883657
(2-hydroxyphenyl)-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 97208763
N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide
CID 136662091
3-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030936

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide (CID 91779265) is N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide is Cn1c(Cn2cccn2)nnc1C1CC(NC(=O)CN2CCCCC2=O)C1.
What is the InChIKey of N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is VUEXWMCDXIVHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-23-15(11-25-8-4-6-19-25)21-22-18(23)13-9-14(10-13)20-16(26)12-24-7-3-2-5-17(24)27/h4,6,8,13-14H,2-3,5,7,9-12H2,1H3,(H,20,26).
What are the key properties of N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide?
N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 371.45 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 91779265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).