furan-3-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone

C17H22N4O3 — CID 87053011

IUPACfuran-3-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
SMILESCCCOc1nccnc1NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H22N4O3/c1-2-10-24-16-15(18-6-7-19-16)20-14-3-8-21(9-4-14)17(22)13-5-11-23-12-13/h5-7,11-12,14H,2-4,8-10H2,1H3,(H,18,20)
InChIKeyFSLDFWADAZTVJX-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.58
Rot. Bonds6

About furan-3-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone

furan-3-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone (PubChem CID 87053011) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is furan-3-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
PubChem CID87053011
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Namefuran-3-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
SMILESCCCOc1nccnc1NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H22N4O3/c1-2-10-24-16-15(18-6-7-19-16)20-14-3-8-21(9-4-14)17(22)13-5-11-23-12-13/h5-7,11-12,14H,2-4,8-10H2,1H3,(H,18,20)
InChIKeyFSLDFWADAZTVJX-UHFFFAOYSA-N
XLogP2.58
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-phenylmethanone
CID 87053000
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,4-dipropoxybenzamide
CID 38211238
[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 53185554
furan-3-yl-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 31660307
furan-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone
CID 97321950
furan-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone
CID 99832210
furan-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone
CID 99700469
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea
CID 90522000
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
3-(furan-3-carbonylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42866687
[(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 129418013

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone (CID 87053011) is furan-3-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone is CCCOc1nccnc1NC1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of furan-3-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone?
The InChIKey is FSLDFWADAZTVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-10-24-16-15(18-6-7-19-16)20-14-3-8-21(9-4-14)17(22)13-5-11-23-12-13/h5-7,11-12,14H,2-4,8-10H2,1H3,(H,18,20).
What are the key properties of furan-3-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone?
furan-3-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone has a molecular weight of 330.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-[(3-propoxypyrazin-2-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 87053011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).