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

C19H25N7O2 — CID 72888437

IUPACN-(furan-2-ylmethyl)-2-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
SMILESCn1c(Cn2cccn2)nnc1C1CCN(CC(=O)NCc2ccco2)CC1
InChIInChI=1S/C19H25N7O2/c1-24-17(13-26-8-3-7-21-26)22-23-19(24)15-5-9-25(10-6-15)14-18(27)20-12-16-4-2-11-28-16/h2-4,7-8,11,15H,5-6,9-10,12-14H2,1H3,(H,20,27)
InChIKeyPEQCTGWZOCBKJB-UHFFFAOYSA-N
MW383.46 g/mol
LogP1.15
Rot. Bonds7

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

N-(furan-2-ylmethyl)-2-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide (PubChem CID 72888437) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
PubChem CID72888437
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC NameN-(furan-2-ylmethyl)-2-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
SMILESCn1c(Cn2cccn2)nnc1C1CCN(CC(=O)NCc2ccco2)CC1
InChIInChI=1S/C19H25N7O2/c1-24-17(13-26-8-3-7-21-26)22-23-19(24)15-5-9-25(10-6-15)14-18(27)20-12-16-4-2-11-28-16/h2-4,7-8,11,15H,5-6,9-10,12-14H2,1H3,(H,20,27)
InChIKeyPEQCTGWZOCBKJB-UHFFFAOYSA-N
XLogP1.15
TPSA94.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(furan-2-ylmethyl)piperidine
CID 72853190
N-(furan-2-ylmethyl)-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]acetamide
CID 71793804
2-(4-ethoxypiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 52728905
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657241
ethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 8772796
4-[[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]benzonitrile
CID 72878939
3-[4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpropanamide
CID 72855840
2-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 72841662
4,4,4-trifluoro-1-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]butan-1-one
CID 72839333
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
6-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 72863419
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 51094831

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide (CID 72888437) is N-(furan-2-ylmethyl)-2-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide is Cn1c(Cn2cccn2)nnc1C1CCN(CC(=O)NCc2ccco2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The InChIKey is PEQCTGWZOCBKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-24-17(13-26-8-3-7-21-26)22-23-19(24)15-5-9-25(10-6-15)14-18(27)20-12-16-4-2-11-28-16/h2-4,7-8,11,15H,5-6,9-10,12-14H2,1H3,(H,20,27).
What are the key properties of N-(furan-2-ylmethyl)-2-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide has a molecular weight of 383.46 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 72888437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).