3-[2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C16H26N6O3 — CID 70775885

IUPAC3-[2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCN(C)Cc1nnc(C2CCCN(C(=O)CN3CCOC3=O)C2)n1C
InChIInChI=1S/C16H26N6O3/c1-19(2)10-13-17-18-15(20(13)3)12-5-4-6-21(9-12)14(23)11-22-7-8-25-16(22)24/h12H,4-11H2,1-3H3
InChIKeyPTOYFBKAOPACHP-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.03
Rot. Bonds5

About 3-[2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 70775885) has the molecular formula C16H26N6O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID70775885
Molecular FormulaC16H26N6O3
Molecular Weight350.42 g/mol
Exact Mass350.21
IUPAC Name3-[2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCN(C)Cc1nnc(C2CCCN(C(=O)CN3CCOC3=O)C2)n1C
InChIInChI=1S/C16H26N6O3/c1-19(2)10-13-17-18-15(20(13)3)12-5-4-6-21(9-12)14(23)11-22-7-8-25-16(22)24/h12H,4-11H2,1-3H3
InChIKeyPTOYFBKAOPACHP-UHFFFAOYSA-N
XLogP0.03
TPSA83.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 70775885) is 3-[2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is CN(C)Cc1nnc(C2CCCN(C(=O)CN3CCOC3=O)C2)n1C.
What is the InChIKey of 3-[2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is PTOYFBKAOPACHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O3/c1-19(2)10-13-17-18-15(20(13)3)12-5-4-6-21(9-12)14(23)11-22-7-8-25-16(22)24/h12H,4-11H2,1-3H3.
What are the key properties of 3-[2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 350.42 g/mol, XLogP of 0.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 70775885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).