4-cyclopropyl-5-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one

C19H31N5O3 — CID 90542937

IUPAC4-cyclopropyl-5-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCC1CN(C(=O)CN2CCC(c3nn(C)c(=O)n3C3CC3)CC2)CC(C)O1
InChIInChI=1S/C19H31N5O3/c1-13-10-23(11-14(2)27-13)17(25)12-22-8-6-15(7-9-22)18-20-21(3)19(26)24(18)16-4-5-16/h13-16H,4-12H2,1-3H3
InChIKeyLOROBHGIFWMAEQ-UHFFFAOYSA-N
MW377.49 g/mol
LogP0.73
Rot. Bonds4

About 4-cyclopropyl-5-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one

4-cyclopropyl-5-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one (PubChem CID 90542937) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-cyclopropyl-5-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopropyl-5-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
PubChem CID90542937
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name4-cyclopropyl-5-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCC1CN(C(=O)CN2CCC(c3nn(C)c(=O)n3C3CC3)CC2)CC(C)O1
InChIInChI=1S/C19H31N5O3/c1-13-10-23(11-14(2)27-13)17(25)12-22-8-6-15(7-9-22)18-20-21(3)19(26)24(18)16-4-5-16/h13-16H,4-12H2,1-3H3
InChIKeyLOROBHGIFWMAEQ-UHFFFAOYSA-N
XLogP0.73
TPSA72.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-cyclopropyl-5-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopropyl-5-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one (CID 90542937) is 4-cyclopropyl-5-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopropyl-5-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopropyl-5-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one is CC1CN(C(=O)CN2CCC(c3nn(C)c(=O)n3C3CC3)CC2)CC(C)O1.
What is the InChIKey of 4-cyclopropyl-5-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The InChIKey is LOROBHGIFWMAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-13-10-23(11-14(2)27-13)17(25)12-22-8-6-15(7-9-22)18-20-21(3)19(26)24(18)16-4-5-16/h13-16H,4-12H2,1-3H3.
What are the key properties of 4-cyclopropyl-5-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
4-cyclopropyl-5-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one has a molecular weight of 377.49 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 90542937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).