1-(2,2-dimethylpropyl)-3-[2-(triazol-1-ylmethyl)morpholin-4-yl]piperidin-2-one

C17H29N5O2 — CID 126831570

IUPAC1-(2,2-dimethylpropyl)-3-[2-(triazol-1-ylmethyl)morpholin-4-yl]piperidin-2-one
SMILESCC(C)(C)CN1CCCC(N2CCOC(Cn3ccnn3)C2)C1=O
InChIInChI=1S/C17H29N5O2/c1-17(2,3)13-21-7-4-5-15(16(21)23)20-9-10-24-14(11-20)12-22-8-6-18-19-22/h6,8,14-15H,4-5,7,9-13H2,1-3H3
InChIKeyAIJVSBWLMMHYQR-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.02
Rot. Bonds4

About 1-(2,2-dimethylpropyl)-3-[2-(triazol-1-ylmethyl)morpholin-4-yl]piperidin-2-one

1-(2,2-dimethylpropyl)-3-[2-(triazol-1-ylmethyl)morpholin-4-yl]piperidin-2-one (PubChem CID 126831570) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-[2-(triazol-1-ylmethyl)morpholin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-[2-(triazol-1-ylmethyl)morpholin-4-yl]piperidin-2-one
PubChem CID126831570
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name1-(2,2-dimethylpropyl)-3-[2-(triazol-1-ylmethyl)morpholin-4-yl]piperidin-2-one
SMILESCC(C)(C)CN1CCCC(N2CCOC(Cn3ccnn3)C2)C1=O
InChIInChI=1S/C17H29N5O2/c1-17(2,3)13-21-7-4-5-15(16(21)23)20-9-10-24-14(11-20)12-22-8-6-18-19-22/h6,8,14-15H,4-5,7,9-13H2,1-3H3
InChIKeyAIJVSBWLMMHYQR-UHFFFAOYSA-N
XLogP1.02
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-[2-(triazol-1-ylmethyl)morpholin-4-yl]piperidin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-[2-(triazol-1-ylmethyl)morpholin-4-yl]piperidin-2-one (CID 126831570) is 1-(2,2-dimethylpropyl)-3-[2-(triazol-1-ylmethyl)morpholin-4-yl]piperidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-[2-(triazol-1-ylmethyl)morpholin-4-yl]piperidin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-[2-(triazol-1-ylmethyl)morpholin-4-yl]piperidin-2-one is CC(C)(C)CN1CCCC(N2CCOC(Cn3ccnn3)C2)C1=O.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-[2-(triazol-1-ylmethyl)morpholin-4-yl]piperidin-2-one?
The InChIKey is AIJVSBWLMMHYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-17(2,3)13-21-7-4-5-15(16(21)23)20-9-10-24-14(11-20)12-22-8-6-18-19-22/h6,8,14-15H,4-5,7,9-13H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-[2-(triazol-1-ylmethyl)morpholin-4-yl]piperidin-2-one?
1-(2,2-dimethylpropyl)-3-[2-(triazol-1-ylmethyl)morpholin-4-yl]piperidin-2-one has a molecular weight of 335.45 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-[2-(triazol-1-ylmethyl)morpholin-4-yl]piperidin-2-one is sourced from PubChem (CID 126831570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).