[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-phenylpyrazolidine-3-carboxylate

C19H27N3O4 — CID 52987078

IUPAC[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-phenylpyrazolidine-3-carboxylate
SMILESCC1CN(C(=O)C(C)OC(=O)C2CC(c3ccccc3)NN2)CC(C)O1
InChIInChI=1S/C19H27N3O4/c1-12-10-22(11-13(2)25-12)18(23)14(3)26-19(24)17-9-16(20-21-17)15-7-5-4-6-8-15/h4-8,12-14,16-17,20-21H,9-11H2,1-3H3
InChIKeyJTMKTUQOVIMQIS-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.16
Rot. Bonds4

About [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-phenylpyrazolidine-3-carboxylate

[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-phenylpyrazolidine-3-carboxylate (PubChem CID 52987078) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-phenylpyrazolidine-3-carboxylate.

Molecular Properties

Compound Name[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-phenylpyrazolidine-3-carboxylate
PubChem CID52987078
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-phenylpyrazolidine-3-carboxylate
SMILESCC1CN(C(=O)C(C)OC(=O)C2CC(c3ccccc3)NN2)CC(C)O1
InChIInChI=1S/C19H27N3O4/c1-12-10-22(11-13(2)25-12)18(23)14(3)26-19(24)17-9-16(20-21-17)15-7-5-4-6-8-15/h4-8,12-14,16-17,20-21H,9-11H2,1-3H3
InChIKeyJTMKTUQOVIMQIS-UHFFFAOYSA-N
XLogP1.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] (3S)-1-oxo-3,4-dihydroisochromene-3-carboxylate
CID 39951769
[(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 98701392
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one
CID 103932975
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-bromobenzoate
CID 46790142
1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 52987096
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate
CID 55311399
azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate
CID 55308407
(2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61148531
N-ethyl-5-phenylpyrazolidine-3-carboxamide
CID 73487890
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 55319792
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55311623

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-phenylpyrazolidine-3-carboxylate?
The IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-phenylpyrazolidine-3-carboxylate (CID 52987078) is [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-phenylpyrazolidine-3-carboxylate.
What is the SMILES notation for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-phenylpyrazolidine-3-carboxylate?
The canonical SMILES for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-phenylpyrazolidine-3-carboxylate is CC1CN(C(=O)C(C)OC(=O)C2CC(c3ccccc3)NN2)CC(C)O1.
What is the InChIKey of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-phenylpyrazolidine-3-carboxylate?
The InChIKey is JTMKTUQOVIMQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-12-10-22(11-13(2)25-12)18(23)14(3)26-19(24)17-9-16(20-21-17)15-7-5-4-6-8-15/h4-8,12-14,16-17,20-21H,9-11H2,1-3H3.
What are the key properties of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-phenylpyrazolidine-3-carboxylate?
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-phenylpyrazolidine-3-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-phenylpyrazolidine-3-carboxylate is sourced from PubChem (CID 52987078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).