1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanone

C15H26N4O2 — CID 98763975

IUPAC1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanone
SMILESC[C@@H]1CN(C(=O)CN[C@H](C)[C@H](C)n2cccn2)C[C@H](C)O1
InChIInChI=1S/C15H26N4O2/c1-11-9-18(10-12(2)21-11)15(20)8-16-13(3)14(4)19-7-5-6-17-19/h5-7,11-14,16H,8-10H2,1-4H3/t11-,12+,13-,14+/m1/s1
InChIKeyQADKZEOOKQKYHJ-RQJABVFESA-N
MW294.40 g/mol
LogP1.06
Rot. Bonds5

About 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanone

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanone (PubChem CID 98763975) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanone.

Molecular Properties

Compound Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanone
PubChem CID98763975
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanone
SMILESC[C@@H]1CN(C(=O)CN[C@H](C)[C@H](C)n2cccn2)C[C@H](C)O1
InChIInChI=1S/C15H26N4O2/c1-11-9-18(10-12(2)21-11)15(20)8-16-13(3)14(4)19-7-5-6-17-19/h5-7,11-14,16H,8-10H2,1-4H3/t11-,12+,13-,14+/m1/s1
InChIKeyQADKZEOOKQKYHJ-RQJABVFESA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanone?
The IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanone (CID 98763975) is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanone.
What is the SMILES notation for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanone?
The canonical SMILES for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanone is C[C@@H]1CN(C(=O)CN[C@H](C)[C@H](C)n2cccn2)C[C@H](C)O1.
What is the InChIKey of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanone?
The InChIKey is QADKZEOOKQKYHJ-RQJABVFESA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11-9-18(10-12(2)21-11)15(20)8-16-13(3)14(4)19-7-5-6-17-19/h5-7,11-14,16H,8-10H2,1-4H3/t11-,12+,13-,14+/m1/s1.
What are the key properties of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanone?
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanone has a molecular weight of 294.40 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanone is sourced from PubChem (CID 98763975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).