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

C17H26N8O — CID 91771292

IUPACN-[3-[4-methyl-5-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(c2nnc(CN3CCC(n4cnnc4)CC3)n2C)C1
InChIInChI=1S/C17H26N8O/c1-12(26)20-14-7-13(8-14)17-22-21-16(23(17)2)9-24-5-3-15(4-6-24)25-10-18-19-11-25/h10-11,13-15H,3-9H2,1-2H3,(H,20,26)
InChIKeyOIRXNOGLRVRNKE-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.63
Rot. Bonds5

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

N-[3-[4-methyl-5-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide (PubChem CID 91771292) has the molecular formula C17H26N8O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[3-[4-methyl-5-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-methyl-5-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide
PubChem CID91771292
Molecular FormulaC17H26N8O
Molecular Weight358.45 g/mol
Exact Mass358.22
IUPAC NameN-[3-[4-methyl-5-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(c2nnc(CN3CCC(n4cnnc4)CC3)n2C)C1
InChIInChI=1S/C17H26N8O/c1-12(26)20-14-7-13(8-14)17-22-21-16(23(17)2)9-24-5-3-15(4-6-24)25-10-18-19-11-25/h10-11,13-15H,3-9H2,1-2H3,(H,20,26)
InChIKeyOIRXNOGLRVRNKE-UHFFFAOYSA-N
XLogP0.63
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91777653
N-[3-[4-methyl-5-[[3-(1,3-thiazol-2-yl)azetidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91780598
1-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 72870073
N-[3-[5-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91763936
3-[4-methyl-5-[(4-propylpiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91782942
[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
N-ethyl-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 70732751
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-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 91767404
4-[5-(azepan-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 70753601
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 70729768

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-methyl-5-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The IUPAC name of N-[3-[4-methyl-5-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide (CID 91771292) is N-[3-[4-methyl-5-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide.
What is the SMILES notation for N-[3-[4-methyl-5-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The canonical SMILES for N-[3-[4-methyl-5-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide is CC(=O)NC1CC(c2nnc(CN3CCC(n4cnnc4)CC3)n2C)C1.
What is the InChIKey of N-[3-[4-methyl-5-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The InChIKey is OIRXNOGLRVRNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N8O/c1-12(26)20-14-7-13(8-14)17-22-21-16(23(17)2)9-24-5-3-15(4-6-24)25-10-18-19-11-25/h10-11,13-15H,3-9H2,1-2H3,(H,20,26).
What are the key properties of N-[3-[4-methyl-5-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
N-[3-[4-methyl-5-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide has a molecular weight of 358.45 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-methyl-5-[[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide is sourced from PubChem (CID 91771292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).