[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone

C16H24N4O2 — CID 36990549

IUPAC[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@H]2CCCN(c3cnccn3)C2)C[C@@H](C)O1
InChIInChI=1S/C16H24N4O2/c1-12-9-20(10-13(2)22-12)16(21)14-4-3-7-19(11-14)15-8-17-5-6-18-15/h5-6,8,12-14H,3-4,7,9-11H2,1-2H3/t12-,13-,14-/m1/s1
InChIKeyVVWBKUAUWFVIFQ-MGPQQGTHSA-N
MW304.39 g/mol
LogP1.33
Rot. Bonds2

About [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone (PubChem CID 36990549) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
PubChem CID36990549
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@H]2CCCN(c3cnccn3)C2)C[C@@H](C)O1
InChIInChI=1S/C16H24N4O2/c1-12-9-20(10-13(2)22-12)16(21)14-4-3-7-19(11-14)15-8-17-5-6-18-15/h5-6,8,12-14H,3-4,7,9-11H2,1-2H3/t12-,13-,14-/m1/s1
InChIKeyVVWBKUAUWFVIFQ-MGPQQGTHSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone with MolForge

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Related Compounds

[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 100871021
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 129427634
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95272185
[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-cyclopentylmethanone
CID 95042945
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100840629
N-(2,3-dimethylcyclohexyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024943
(3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 124822252
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
CID 42954798
(1-pyrazin-2-ylpiperidin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56819028
[4-(2-phenoxyethyl)piperazin-1-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 51934537

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
The IUPAC name of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone (CID 36990549) is [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone.
What is the SMILES notation for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
The canonical SMILES for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone is C[C@@H]1CN(C(=O)[C@@H]2CCCN(c3cnccn3)C2)C[C@@H](C)O1.
What is the InChIKey of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
The InChIKey is VVWBKUAUWFVIFQ-MGPQQGTHSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-9-20(10-13(2)22-12)16(21)14-4-3-7-19(11-14)15-8-17-5-6-18-15/h5-6,8,12-14H,3-4,7,9-11H2,1-2H3/t12-,13-,14-/m1/s1.
What are the key properties of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone?
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone is sourced from PubChem (CID 36990549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).