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

C16H24N8O2 — CID 72862444

IUPACN-[3-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCC(c2nnc(Cn3cncn3)n2C)CC1
InChIInChI=1S/C16H24N8O2/c1-12(25)18-6-3-15(26)23-7-4-13(5-8-23)16-21-20-14(22(16)2)9-24-11-17-10-19-24/h10-11,13H,3-9H2,1-2H3,(H,18,25)
InChIKeyGQMWTABHLCLSJV-UHFFFAOYSA-N
MW360.42 g/mol
LogP-0.31
Rot. Bonds6

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

N-[3-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]acetamide (PubChem CID 72862444) has the molecular formula C16H24N8O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[3-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]acetamide
PubChem CID72862444
Molecular FormulaC16H24N8O2
Molecular Weight360.42 g/mol
Exact Mass360.20
IUPAC NameN-[3-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCC(c2nnc(Cn3cncn3)n2C)CC1
InChIInChI=1S/C16H24N8O2/c1-12(25)18-6-3-15(26)23-7-4-13(5-8-23)16-21-20-14(22(16)2)9-24-11-17-10-19-24/h10-11,13H,3-9H2,1-2H3,(H,18,25)
InChIKeyGQMWTABHLCLSJV-UHFFFAOYSA-N
XLogP-0.31
TPSA110.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-[3-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]acetamide (CID 72862444) is N-[3-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]acetamide is CC(=O)NCCC(=O)N1CCC(c2nnc(Cn3cncn3)n2C)CC1.
What is the InChIKey of N-[3-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]acetamide?
The InChIKey is GQMWTABHLCLSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N8O2/c1-12(25)18-6-3-15(26)23-7-4-13(5-8-23)16-21-20-14(22(16)2)9-24-11-17-10-19-24/h10-11,13H,3-9H2,1-2H3,(H,18,25).
What are the key properties of N-[3-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]acetamide?
N-[3-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 360.42 g/mol, XLogP of -0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 72862444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).