4-cyclopropyl-3-(1-(2-(2,6-dimethylmorpholino)-2-oxoethyl)piperidin-4-yl)-1-methyl-1H-1,2,4-triazol-5(4H)-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(CC(O1)C)C(=O)CN2CCC(CC2)C3=NN(C(=O)N3C4CC4)C
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
MW377.50 g/mol
LogP0.60
Rot. Bonds4

About 4-cyclopropyl-3-(1-(2-(2,6-dimethylmorpholino)-2-oxoethyl)piperidin-4-yl)-1-methyl-1H-1,2,4-triazol-5(4H)-one

4-cyclopropyl-3-(1-(2-(2,6-dimethylmorpholino)-2-oxoethyl)piperidin-4-yl)-1-methyl-1H-1,2,4-triazol-5(4H)-one (PubChem CID 90542937) has the molecular formula C19H31N5O3 and a molecular weight of 377.50 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-3-(1-(2-(2,6-dimethylmorpholino)-2-oxoethyl)piperidin-4-yl)-1-methyl-1H-1,2,4-triazol-5(4H)-one
PubChem CID90542937
Molecular FormulaC19H31N5O3
Molecular Weight377.50 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(CC(O1)C)C(=O)CN2CCC(CC2)C3=NN(C(=O)N3C4CC4)C
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
XLogP0.60
TPSA68.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity617

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-(1-(2-(2,6-dimethylmorpholino)-2-oxoethyl)piperidin-4-yl)-1-methyl-1H-1,2,4-triazol-5(4H)-one?
The IUPAC name of 4-cyclopropyl-3-(1-(2-(2,6-dimethylmorpholino)-2-oxoethyl)piperidin-4-yl)-1-methyl-1H-1,2,4-triazol-5(4H)-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-3-(1-(2-(2,6-dimethylmorpholino)-2-oxoethyl)piperidin-4-yl)-1-methyl-1H-1,2,4-triazol-5(4H)-one?
The canonical SMILES for 4-cyclopropyl-3-(1-(2-(2,6-dimethylmorpholino)-2-oxoethyl)piperidin-4-yl)-1-methyl-1H-1,2,4-triazol-5(4H)-one is CC1CN(CC(O1)C)C(=O)CN2CCC(CC2)C3=NN(C(=O)N3C4CC4)C.
What is the InChIKey of 4-cyclopropyl-3-(1-(2-(2,6-dimethylmorpholino)-2-oxoethyl)piperidin-4-yl)-1-methyl-1H-1,2,4-triazol-5(4H)-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-3-(1-(2-(2,6-dimethylmorpholino)-2-oxoethyl)piperidin-4-yl)-1-methyl-1H-1,2,4-triazol-5(4H)-one?
4-cyclopropyl-3-(1-(2-(2,6-dimethylmorpholino)-2-oxoethyl)piperidin-4-yl)-1-methyl-1H-1,2,4-triazol-5(4H)-one has a molecular weight of 377.50 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-(1-(2-(2,6-dimethylmorpholino)-2-oxoethyl)piperidin-4-yl)-1-methyl-1H-1,2,4-triazol-5(4H)-one is sourced from PubChem (CID 90542937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).