1-[(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

C19H27N5O2 — CID 124982567

IUPAC1-[(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCC[C@H](Cc2nccnc2N(C)C)C1
InChIInChI=1S/C19H27N5O2/c1-13-16(14(2)26-22-13)11-18(25)24-9-5-6-15(12-24)10-17-19(23(3)4)21-8-7-20-17/h7-8,15H,5-6,9-12H2,1-4H3/t15-/m1/s1
InChIKeyMYADNYLEYLCVMX-OAHLLOKOSA-N
MW357.46 g/mol
LogP2.17
Rot. Bonds5

About 1-[(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

1-[(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (PubChem CID 124982567) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
PubChem CID124982567
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name1-[(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCC[C@H](Cc2nccnc2N(C)C)C1
InChIInChI=1S/C19H27N5O2/c1-13-16(14(2)26-22-13)11-18(25)24-9-5-6-15(12-24)10-17-19(23(3)4)21-8-7-20-17/h7-8,15H,5-6,9-12H2,1-4H3/t15-/m1/s1
InChIKeyMYADNYLEYLCVMX-OAHLLOKOSA-N
XLogP2.17
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 124981984
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 110103439
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372864
1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 99992838
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 125156941
N-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-3-yl]methyl]acetamide
CID 75462370
[3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110113329
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 70719519
[(3S)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 124976884
(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 78996821
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 124606468
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
CID 56779716

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The IUPAC name of 1-[(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (CID 124982567) is 1-[(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-[(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The canonical SMILES for 1-[(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is Cc1noc(C)c1CC(=O)N1CCC[C@H](Cc2nccnc2N(C)C)C1.
What is the InChIKey of 1-[(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The InChIKey is MYADNYLEYLCVMX-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-13-16(14(2)26-22-13)11-18(25)24-9-5-6-15(12-24)10-17-19(23(3)4)21-8-7-20-17/h7-8,15H,5-6,9-12H2,1-4H3/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
1-[(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone has a molecular weight of 357.46 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is sourced from PubChem (CID 124982567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).