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

C17H28N6O3 — CID 70714866

IUPAC3-[2-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCCn1c(CN(C)C)nnc1C1CCN(C(=O)CN2CCOC2=O)CC1
InChIInChI=1S/C17H28N6O3/c1-4-23-14(11-20(2)3)18-19-16(23)13-5-7-21(8-6-13)15(24)12-22-9-10-26-17(22)25/h13H,4-12H2,1-3H3
InChIKeyQYWOQEFWGGPAEL-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.52
Rot. Bonds6

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

3-[2-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 70714866) has the molecular formula C17H28N6O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[2-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID70714866
Molecular FormulaC17H28N6O3
Molecular Weight364.45 g/mol
Exact Mass364.22
IUPAC Name3-[2-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCCn1c(CN(C)C)nnc1C1CCN(C(=O)CN2CCOC2=O)CC1
InChIInChI=1S/C17H28N6O3/c1-4-23-14(11-20(2)3)18-19-16(23)13-5-7-21(8-6-13)15(24)12-22-9-10-26-17(22)25/h13H,4-12H2,1-3H3
InChIKeyQYWOQEFWGGPAEL-UHFFFAOYSA-N
XLogP0.52
TPSA83.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 70714866) is 3-[2-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is CCn1c(CN(C)C)nnc1C1CCN(C(=O)CN2CCOC2=O)CC1.
What is the InChIKey of 3-[2-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is QYWOQEFWGGPAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O3/c1-4-23-14(11-20(2)3)18-19-16(23)13-5-7-21(8-6-13)15(24)12-22-9-10-26-17(22)25/h13H,4-12H2,1-3H3.
What are the key properties of 3-[2-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 364.45 g/mol, XLogP of 0.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 70714866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).