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

C15H26N4O2 — CID 100841147

IUPAC1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethanone
SMILESCc1cnn(C[C@H](C)NCC(=O)N2C[C@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C15H26N4O2/c1-11-5-17-19(7-11)8-12(2)16-6-15(20)18-9-13(3)21-14(4)10-18/h5,7,12-14,16H,6,8-10H2,1-4H3/t12-,13-,14-/m0/s1
InChIKeyWXTTZGWOKGJENF-IHRRRGAJSA-N
MW294.40 g/mol
LogP0.81
Rot. Bonds5

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

1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethanone (PubChem CID 100841147) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethanone.

Molecular Properties

Compound Name1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethanone
PubChem CID100841147
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethanone
SMILESCc1cnn(C[C@H](C)NCC(=O)N2C[C@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C15H26N4O2/c1-11-5-17-19(7-11)8-12(2)16-6-15(20)18-9-13(3)21-14(4)10-18/h5,7,12-14,16H,6,8-10H2,1-4H3/t12-,13-,14-/m0/s1
InChIKeyWXTTZGWOKGJENF-IHRRRGAJSA-N
XLogP0.81
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethanone?
The IUPAC name of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethanone (CID 100841147) is 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethanone.
What is the SMILES notation for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethanone?
The canonical SMILES for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethanone is Cc1cnn(C[C@H](C)NCC(=O)N2C[C@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethanone?
The InChIKey is WXTTZGWOKGJENF-IHRRRGAJSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11-5-17-19(7-11)8-12(2)16-6-15(20)18-9-13(3)21-14(4)10-18/h5,7,12-14,16H,6,8-10H2,1-4H3/t12-,13-,14-/m0/s1.
What are the key properties of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethanone?
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethanone has a molecular weight of 294.40 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]ethanone is sourced from PubChem (CID 100841147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).