2-morpholin-4-yl-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone

C13H21N5O2 — CID 90650699

IUPAC2-morpholin-4-yl-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCOCC1)N1CCCC(c2ncn[nH]2)C1
InChIInChI=1S/C13H21N5O2/c19-12(9-17-4-6-20-7-5-17)18-3-1-2-11(8-18)13-14-10-15-16-13/h10-11H,1-9H2,(H,14,15,16)
InChIKeyGDWKYMJGKFTARY-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.16
Rot. Bonds3

About 2-morpholin-4-yl-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone

2-morpholin-4-yl-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 90650699) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
PubChem CID90650699
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-morpholin-4-yl-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCOCC1)N1CCCC(c2ncn[nH]2)C1
InChIInChI=1S/C13H21N5O2/c19-12(9-17-4-6-20-7-5-17)18-3-1-2-11(8-18)13-14-10-15-16-13/h10-11H,1-9H2,(H,14,15,16)
InChIKeyGDWKYMJGKFTARY-UHFFFAOYSA-N
XLogP-0.16
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-morpholin-4-yl-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone (CID 90650699) is 2-morpholin-4-yl-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone is O=C(CN1CCOCC1)N1CCCC(c2ncn[nH]2)C1.
What is the InChIKey of 2-morpholin-4-yl-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is GDWKYMJGKFTARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c19-12(9-17-4-6-20-7-5-17)18-3-1-2-11(8-18)13-14-10-15-16-13/h10-11H,1-9H2,(H,14,15,16).
What are the key properties of 2-morpholin-4-yl-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone?
2-morpholin-4-yl-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 279.34 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 90650699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).