1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]ethanone

C19H26N4O3 — CID 154564115

IUPAC1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]ethanone
SMILESC[C@@H]1CN(C(=O)CC2CCCN(c3nc4ncccc4o3)C2)C[C@H](C)O1
InChIInChI=1S/C19H26N4O3/c1-13-10-23(11-14(2)25-13)17(24)9-15-5-4-8-22(12-15)19-21-18-16(26-19)6-3-7-20-18/h3,6-7,13-15H,4-5,8-12H2,1-2H3/t13-,14+,15?
InChIKeyGNDUFIRGPPSOCO-YIONKMFJSA-N
MW358.44 g/mol
LogP2.47
Rot. Bonds3

About 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]ethanone

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]ethanone (PubChem CID 154564115) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]ethanone
PubChem CID154564115
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]ethanone
SMILESC[C@@H]1CN(C(=O)CC2CCCN(c3nc4ncccc4o3)C2)C[C@H](C)O1
InChIInChI=1S/C19H26N4O3/c1-13-10-23(11-14(2)25-13)17(24)9-15-5-4-8-22(12-15)19-21-18-16(26-19)6-3-7-20-18/h3,6-7,13-15H,4-5,8-12H2,1-2H3/t13-,14+,15?
InChIKeyGNDUFIRGPPSOCO-YIONKMFJSA-N
XLogP2.47
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-1-(3-pyridin-4-ylazetidin-1-yl)ethanone
CID 155508879
2-methyl-6-[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 154816114
2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 154823410
ethyl 3-[[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]amino]propanoate
CID 154564373
N-[(1-methylimidazol-2-yl)methyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 154566401
N-[2-(4-methyltriazol-1-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 155498550
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 155503397
2-[1-ethyl-5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1,2,4-triazol-3-yl]acetamide
CID 154823845
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 134794435
N-methyl-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 154818915
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 154568639
N-methyl-2-[5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1-propyl-1,2,4-triazol-3-yl]acetamide
CID 146045024

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]ethanone?
The IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]ethanone (CID 154564115) is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]ethanone?
The canonical SMILES for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]ethanone is C[C@@H]1CN(C(=O)CC2CCCN(c3nc4ncccc4o3)C2)C[C@H](C)O1.
What is the InChIKey of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]ethanone?
The InChIKey is GNDUFIRGPPSOCO-YIONKMFJSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13-10-23(11-14(2)25-13)17(24)9-15-5-4-8-22(12-15)19-21-18-16(26-19)6-3-7-20-18/h3,6-7,13-15H,4-5,8-12H2,1-2H3/t13-,14+,15?.
What are the key properties of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]ethanone?
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]ethanone has a molecular weight of 358.44 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]ethanone is sourced from PubChem (CID 154564115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).