(5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

C19H30N8O — CID 72861154

IUPAC(5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCc1[nH]cnc1C(=O)N1CCC(c2nnc(CN3CCN(C)CC3)n2C)CC1
InChIInChI=1S/C19H30N8O/c1-14-17(21-13-20-14)19(28)27-6-4-15(5-7-27)18-23-22-16(25(18)3)12-26-10-8-24(2)9-11-26/h13,15H,4-12H2,1-3H3,(H,20,21)
InChIKeySSWYMTSMYSUJGJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.61
Rot. Bonds4

About (5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

(5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 72861154) has the molecular formula C19H30N8O and a molecular weight of 386.50 g/mol. Its IUPAC name is (5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID72861154
Molecular FormulaC19H30N8O
Molecular Weight386.50 g/mol
Exact Mass386.25
IUPAC Name(5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCc1[nH]cnc1C(=O)N1CCC(c2nnc(CN3CCN(C)CC3)n2C)CC1
InChIInChI=1S/C19H30N8O/c1-14-17(21-13-20-14)19(28)27-6-4-15(5-7-27)18-23-22-16(25(18)3)12-26-10-8-24(2)9-11-26/h13,15H,4-12H2,1-3H3,(H,20,21)
InChIKeySSWYMTSMYSUJGJ-UHFFFAOYSA-N
XLogP0.61
TPSA86.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 72861154) is (5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is Cc1[nH]cnc1C(=O)N1CCC(c2nnc(CN3CCN(C)CC3)n2C)CC1.
What is the InChIKey of (5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is SSWYMTSMYSUJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N8O/c1-14-17(21-13-20-14)19(28)27-6-4-15(5-7-27)18-23-22-16(25(18)3)12-26-10-8-24(2)9-11-26/h13,15H,4-12H2,1-3H3,(H,20,21).
What are the key properties of (5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
(5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 386.50 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72861154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).