1-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone

C16H24N4O4 — CID 92632639

IUPAC1-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCc1cnn(CC(=O)N2CCO[C@@](C)(C(=O)N3CCOCC3)C2)c1
InChIInChI=1S/C16H24N4O4/c1-13-9-17-20(10-13)11-14(21)19-5-8-24-16(2,12-19)15(22)18-3-6-23-7-4-18/h9-10H,3-8,11-12H2,1-2H3/t16-/m1/s1
InChIKeyWFLOOLXQNFRDFL-MRXNPFEDSA-N
MW336.39 g/mol
LogP-0.33
Rot. Bonds3

About 1-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone

1-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone (PubChem CID 92632639) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone
PubChem CID92632639
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name1-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCc1cnn(CC(=O)N2CCO[C@@](C)(C(=O)N3CCOCC3)C2)c1
InChIInChI=1S/C16H24N4O4/c1-13-9-17-20(10-13)11-14(21)19-5-8-24-16(2,12-19)15(22)18-3-6-23-7-4-18/h9-10H,3-8,11-12H2,1-2H3/t16-/m1/s1
InChIKeyWFLOOLXQNFRDFL-MRXNPFEDSA-N
XLogP-0.33
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone with MolForge

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Related Compounds

2-(4-methylpyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 146126134
4-[2-(4-chloropyrazol-1-yl)acetyl]-N,2-dimethylmorpholine-2-carboxamide
CID 110094868
2-(benzotriazol-1-yl)-1-[(2S)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]ethanone
CID 92632795
1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 97026533
1-(3-hydroxyazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone
CID 156799354
1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid
CID 19622291
[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 118740266
[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone
CID 110253448
1-[(4S,5S)-4-hydroxy-5-[methyl(oxan-4-yl)amino]azepan-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 110128457
N-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboxamide
CID 113238079
2-methyl-4-(2-pyrazol-1-ylacetyl)morpholine-2-carboxamide
CID 73439576
(6R,11S)-11-hydroxy-8-[2-(4-methylpyrazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 164694482

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone (CID 92632639) is 1-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone is Cc1cnn(CC(=O)N2CCO[C@@](C)(C(=O)N3CCOCC3)C2)c1.
What is the InChIKey of 1-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The InChIKey is WFLOOLXQNFRDFL-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-13-9-17-20(10-13)11-14(21)19-5-8-24-16(2,12-19)15(22)18-3-6-23-7-4-18/h9-10H,3-8,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone?
1-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone has a molecular weight of 336.39 g/mol, XLogP of -0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 92632639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).