1-[(3S)-3-[6-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone

C16H24N4O2 — CID 95825655

IUPAC1-[(3S)-3-[6-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2cncc(NC3CCOCC3)n2)C1
InChIInChI=1S/C16H24N4O2/c1-12(21)20-6-2-3-13(11-20)15-9-17-10-16(19-15)18-14-4-7-22-8-5-14/h9-10,13-14H,2-8,11H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyXRCYBTSPBFSTGQ-ZDUSSCGKSA-N
MW304.39 g/mol
LogP1.79
Rot. Bonds3

About 1-[(3S)-3-[6-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone

1-[(3S)-3-[6-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95825655) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[(3S)-3-[6-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[6-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95825655
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-[(3S)-3-[6-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2cncc(NC3CCOCC3)n2)C1
InChIInChI=1S/C16H24N4O2/c1-12(21)20-6-2-3-13(11-20)15-9-17-10-16(19-15)18-14-4-7-22-8-5-14/h9-10,13-14H,2-8,11H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyXRCYBTSPBFSTGQ-ZDUSSCGKSA-N
XLogP1.79
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[3-(Pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821990
1-[4-[[5-(Pyrazin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 95823803
1-[4-(6-Morpholin-4-ylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 95825045
1-[4-(6-Piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone
CID 95825239
N-[1-(5-piperidin-4-ylpyrazin-2-yl)piperidin-4-yl]acetamide
CID 95825566
1-[4-[5-(Oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95825658
N-[1-(5-piperidin-4-ylpyrazin-2-yl)piperidin-4-yl]acetamide;hydrochloride
CID 118741793
1-[4-(6-Piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 118741796
3-(4-methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl-3'-ylmethyl)-piperidin-2-one
CID 11529397
N-[[3,5-di(propan-2-yl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-7-yl]methyl]acetamide
CID 118032751
1-[3-(5-Aminopyrazin-2-yl)piperidin-1-yl]ethanone
CID 140311766
N-tert-butyl-5-[2-methyl-2-(oxan-4-ylamino)propyl]pyrazin-2-amine
CID 169683761

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[6-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[6-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95825655) is 1-[(3S)-3-[6-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[6-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[6-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](c2cncc(NC3CCOCC3)n2)C1.
What is the InChIKey of 1-[(3S)-3-[6-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is XRCYBTSPBFSTGQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12(21)20-6-2-3-13(11-20)15-9-17-10-16(19-15)18-14-4-7-22-8-5-14/h9-10,13-14H,2-8,11H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 1-[(3S)-3-[6-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[(3S)-3-[6-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 304.39 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[6-(oxan-4-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95825655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).