(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propan-1-one

C16H28N4O2 — CID 95326277

IUPAC(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propan-1-one
SMILESCc1cnn(C[C@H](C)N[C@H](C)C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C16H28N4O2/c1-11-6-17-20(7-11)8-12(2)18-15(5)16(21)19-9-13(3)22-14(4)10-19/h6-7,12-15,18H,8-10H2,1-5H3/t12-,13-,14+,15+/m0/s1
InChIKeyLLAWFSJHUONGMC-BYNSBNAKSA-N
MW308.43 g/mol
LogP1.19
Rot. Bonds5

About (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propan-1-one

(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propan-1-one (PubChem CID 95326277) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propan-1-one
PubChem CID95326277
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propan-1-one
SMILESCc1cnn(C[C@H](C)N[C@H](C)C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C16H28N4O2/c1-11-6-17-20(7-11)8-12(2)18-15(5)16(21)19-9-13(3)22-14(4)10-19/h6-7,12-15,18H,8-10H2,1-5H3/t12-,13-,14+,15+/m0/s1
InChIKeyLLAWFSJHUONGMC-BYNSBNAKSA-N
XLogP1.19
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethanone
CID 100841147
4-[(2R)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 95299656
(2S)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]butanamide
CID 95299786
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanamide
CID 95327901
(2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanamide
CID 95319263
N-(1-ethylpiperidin-4-yl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
CID 95757698
(2S)-2-(4-fluorophenyl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
CID 95295040
2-(3,4-dimethylanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 17399590
(2S)-2-bromo-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 124552619
2-methyl-3-(methylamino)-1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propan-1-one
CID 119881078
(2R)-1-morpholin-4-yl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propan-1-one
CID 94159983
2-(4-bromoanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 17402101

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propan-1-one?
The IUPAC name of (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propan-1-one (CID 95326277) is (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propan-1-one.
What is the SMILES notation for (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propan-1-one?
The canonical SMILES for (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propan-1-one is Cc1cnn(C[C@H](C)N[C@H](C)C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propan-1-one?
The InChIKey is LLAWFSJHUONGMC-BYNSBNAKSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-11-6-17-20(7-11)8-12(2)18-15(5)16(21)19-9-13(3)22-14(4)10-19/h6-7,12-15,18H,8-10H2,1-5H3/t12-,13-,14+,15+/m0/s1.
What are the key properties of (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propan-1-one?
(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propan-1-one has a molecular weight of 308.43 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propan-1-one is sourced from PubChem (CID 95326277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).