(2,6-dimethylmorpholin-4-yl)-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanone

C17H29N5O2 — CID 56815636

IUPAC(2,6-dimethylmorpholin-4-yl)-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanone
SMILESCc1nnc(CN2CCC(C(=O)N3CC(C)OC(C)C3)CC2)n1C
InChIInChI=1S/C17H29N5O2/c1-12-9-22(10-13(2)24-12)17(23)15-5-7-21(8-6-15)11-16-19-18-14(3)20(16)4/h12-13,15H,5-11H2,1-4H3
InChIKeyAQUAYKFVVGDSHW-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.97
Rot. Bonds3

About (2,6-dimethylmorpholin-4-yl)-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanone (PubChem CID 56815636) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanone
PubChem CID56815636
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanone
SMILESCc1nnc(CN2CCC(C(=O)N3CC(C)OC(C)C3)CC2)n1C
InChIInChI=1S/C17H29N5O2/c1-12-9-22(10-13(2)24-12)17(23)15-5-7-21(8-6-15)11-16-19-18-14(3)20(16)4/h12-13,15H,5-11H2,1-4H3
InChIKeyAQUAYKFVVGDSHW-UHFFFAOYSA-N
XLogP0.97
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanone (CID 56815636) is (2,6-dimethylmorpholin-4-yl)-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanone is Cc1nnc(CN2CCC(C(=O)N3CC(C)OC(C)C3)CC2)n1C.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanone?
The InChIKey is AQUAYKFVVGDSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-12-9-22(10-13(2)24-12)17(23)15-5-7-21(8-6-15)11-16-19-18-14(3)20(16)4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanone has a molecular weight of 335.45 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 56815636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).