(1,4-dimethylpiperidin-4-yl)-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]methanone

C17H29N5O2 — CID 46999850

IUPAC(1,4-dimethylpiperidin-4-yl)-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCC(O)c1cn(C2CCN(C(=O)C3(C)CCN(C)CC3)CC2)nn1
InChIInChI=1S/C17H29N5O2/c1-13(23)15-12-22(19-18-15)14-4-8-21(9-5-14)16(24)17(2)6-10-20(3)11-7-17/h12-14,23H,4-11H2,1-3H3
InChIKeyQXLFGAWFRKOKFL-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.23
Rot. Bonds3

About (1,4-dimethylpiperidin-4-yl)-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]methanone

(1,4-dimethylpiperidin-4-yl)-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 46999850) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (1,4-dimethylpiperidin-4-yl)-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,4-dimethylpiperidin-4-yl)-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID46999850
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name(1,4-dimethylpiperidin-4-yl)-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCC(O)c1cn(C2CCN(C(=O)C3(C)CCN(C)CC3)CC2)nn1
InChIInChI=1S/C17H29N5O2/c1-13(23)15-12-22(19-18-15)14-4-8-21(9-5-14)16(24)17(2)6-10-20(3)11-7-17/h12-14,23H,4-11H2,1-3H3
InChIKeyQXLFGAWFRKOKFL-UHFFFAOYSA-N
XLogP1.23
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpiperidin-4-yl)-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (1,4-dimethylpiperidin-4-yl)-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]methanone (CID 46999850) is (1,4-dimethylpiperidin-4-yl)-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1,4-dimethylpiperidin-4-yl)-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1,4-dimethylpiperidin-4-yl)-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]methanone is CC(O)c1cn(C2CCN(C(=O)C3(C)CCN(C)CC3)CC2)nn1.
What is the InChIKey of (1,4-dimethylpiperidin-4-yl)-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is QXLFGAWFRKOKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-13(23)15-12-22(19-18-15)14-4-8-21(9-5-14)16(24)17(2)6-10-20(3)11-7-17/h12-14,23H,4-11H2,1-3H3.
What are the key properties of (1,4-dimethylpiperidin-4-yl)-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]methanone?
(1,4-dimethylpiperidin-4-yl)-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 335.45 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpiperidin-4-yl)-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 46999850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).