3-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpropanamide

C18H32N6O2 — CID 70709432

IUPAC3-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1
InChIInChI=1S/C18H32N6O2/c1-19-17(26)7-12-23-8-3-14(4-9-23)18-21-20-16(22(18)2)13-24-10-5-15(25)6-11-24/h14-15,25H,3-13H2,1-2H3,(H,19,26)
InChIKeyDKJORYFLQNKSSG-UHFFFAOYSA-N
MW364.49 g/mol
LogP0.09
Rot. Bonds6

About 3-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpropanamide

3-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpropanamide (PubChem CID 70709432) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpropanamide
PubChem CID70709432
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC Name3-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1
InChIInChI=1S/C18H32N6O2/c1-19-17(26)7-12-23-8-3-14(4-9-23)18-21-20-16(22(18)2)13-24-10-5-15(25)6-11-24/h14-15,25H,3-13H2,1-2H3,(H,19,26)
InChIKeyDKJORYFLQNKSSG-UHFFFAOYSA-N
XLogP0.09
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpropanamide (CID 70709432) is 3-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpropanamide is CNC(=O)CCN1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1.
What is the InChIKey of 3-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpropanamide?
The InChIKey is DKJORYFLQNKSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-19-17(26)7-12-23-8-3-14(4-9-23)18-21-20-16(22(18)2)13-24-10-5-15(25)6-11-24/h14-15,25H,3-13H2,1-2H3,(H,19,26).
What are the key properties of 3-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpropanamide?
3-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpropanamide has a molecular weight of 364.49 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 70709432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).