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

C19H29N7O — CID 70705878

IUPAC(5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCc1[nH]cnc1C(=O)N1CCC(c2nnc(CN3CCCCC3)n2C)CC1
InChIInChI=1S/C19H29N7O/c1-14-17(21-13-20-14)19(27)26-10-6-15(7-11-26)18-23-22-16(24(18)2)12-25-8-4-3-5-9-25/h13,15H,3-12H2,1-2H3,(H,20,21)
InChIKeyVAXAZGFKGLCMAT-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.85
Rot. Bonds4

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

(5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 70705878) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is (5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID70705878
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name(5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCc1[nH]cnc1C(=O)N1CCC(c2nnc(CN3CCCCC3)n2C)CC1
InChIInChI=1S/C19H29N7O/c1-14-17(21-13-20-14)19(27)26-10-6-15(7-11-26)18-23-22-16(24(18)2)12-25-8-4-3-5-9-25/h13,15H,3-12H2,1-2H3,(H,20,21)
InChIKeyVAXAZGFKGLCMAT-UHFFFAOYSA-N
XLogP1.85
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 70705878) is (5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-(piperidin-1-ylmethyl)-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-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is Cc1[nH]cnc1C(=O)N1CCC(c2nnc(CN3CCCCC3)n2C)CC1.
What is the InChIKey of (5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is VAXAZGFKGLCMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-14-17(21-13-20-14)19(27)26-10-6-15(7-11-26)18-23-22-16(24(18)2)12-25-8-4-3-5-9-25/h13,15H,3-12H2,1-2H3,(H,20,21).
What are the key properties of (5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
(5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 371.49 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-imidazol-4-yl)-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70705878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).