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

C18H28N6O3 — CID 72864032

IUPAC3-[2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCN(C)Cc1nnc(C2CCN(C(=O)CN3CCOC3=O)CC2)n1C1CC1
InChIInChI=1S/C18H28N6O3/c1-21(2)11-15-19-20-17(24(15)14-3-4-14)13-5-7-22(8-6-13)16(25)12-23-9-10-27-18(23)26/h13-14H,3-12H2,1-2H3
InChIKeyOMSVFQXTLSNERU-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.83
Rot. Bonds6

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

3-[2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 72864032) has the molecular formula C18H28N6O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID72864032
Molecular FormulaC18H28N6O3
Molecular Weight376.46 g/mol
Exact Mass376.22
IUPAC Name3-[2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCN(C)Cc1nnc(C2CCN(C(=O)CN3CCOC3=O)CC2)n1C1CC1
InChIInChI=1S/C18H28N6O3/c1-21(2)11-15-19-20-17(24(15)14-3-4-14)13-5-7-22(8-6-13)16(25)12-23-9-10-27-18(23)26/h13-14H,3-12H2,1-2H3
InChIKeyOMSVFQXTLSNERU-UHFFFAOYSA-N
XLogP0.83
TPSA83.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 72864032) is 3-[2-[4-[4-cyclopropyl-5-[(dimethylamino)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-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is CN(C)Cc1nnc(C2CCN(C(=O)CN3CCOC3=O)CC2)n1C1CC1.
What is the InChIKey of 3-[2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is OMSVFQXTLSNERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O3/c1-21(2)11-15-19-20-17(24(15)14-3-4-14)13-5-7-22(8-6-13)16(25)12-23-9-10-27-18(23)26/h13-14H,3-12H2,1-2H3.
What are the key properties of 3-[2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 376.46 g/mol, XLogP of 0.83, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[4-cyclopropyl-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 72864032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).