[3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone

C16H20N4O2 — CID 134697643

IUPAC[3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
SMILESCc1cnc(C)c(NC2CCCN(C(=O)c3ccco3)C2)n1
InChIInChI=1S/C16H20N4O2/c1-11-9-17-12(2)15(18-11)19-13-5-3-7-20(10-13)16(21)14-6-4-8-22-14/h4,6,8-9,13H,3,5,7,10H2,1-2H3,(H,18,19)
InChIKeyOJVOWHLUTUQHHL-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.40
Rot. Bonds3

About [3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone

[3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 134697643) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID134697643
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
SMILESCc1cnc(C)c(NC2CCCN(C(=O)c3ccco3)C2)n1
InChIInChI=1S/C16H20N4O2/c1-11-9-17-12(2)15(18-11)19-13-5-3-7-20(10-13)16(21)14-6-4-8-22-14/h4,6,8-9,13H,3,5,7,10H2,1-2H3,(H,18,19)
InChIKeyOJVOWHLUTUQHHL-UHFFFAOYSA-N
XLogP2.40
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 50962643
N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 131939712
furan-2-yl-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 74239566
N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide
CID 131927041
[(3R)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 95111508
[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 95777767
[(3S)-3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 95719033
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
N-[1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 131936035
[(3S)-3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 95119604
[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133373359
2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]acetamide
CID 137225405

Frequently Asked Questions

What is the IUPAC name of [3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone (CID 134697643) is [3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone is Cc1cnc(C)c(NC2CCCN(C(=O)c3ccco3)C2)n1.
What is the InChIKey of [3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is OJVOWHLUTUQHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-9-17-12(2)15(18-11)19-13-5-3-7-20(10-13)16(21)14-6-4-8-22-14/h4,6,8-9,13H,3,5,7,10H2,1-2H3,(H,18,19).
What are the key properties of [3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone?
[3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 134697643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).