(5R,6S)-5-[(5-ethylfuran-2-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one

C17H24N4O2 — CID 128993535

IUPAC(5R,6S)-5-[(5-ethylfuran-2-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one
SMILESCCc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2cnn(CC)c2)o1
InChIInChI=1S/C17H24N4O2/c1-3-13-5-6-14(23-13)10-18-15-7-8-16(22)20-17(15)12-9-19-21(4-2)11-12/h5-6,9,11,15,17-18H,3-4,7-8,10H2,1-2H3,(H,20,22)/t15-,17+/m1/s1
InChIKeyYUYIVMVTILHLFF-WBVHZDCISA-N
MW316.41 g/mol
LogP2.17
Rot. Bonds6

About (5R,6S)-5-[(5-ethylfuran-2-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one

(5R,6S)-5-[(5-ethylfuran-2-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one (PubChem CID 128993535) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (5R,6S)-5-[(5-ethylfuran-2-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-5-[(5-ethylfuran-2-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one
PubChem CID128993535
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name(5R,6S)-5-[(5-ethylfuran-2-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one
SMILESCCc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2cnn(CC)c2)o1
InChIInChI=1S/C17H24N4O2/c1-3-13-5-6-14(23-13)10-18-15-7-8-16(22)20-17(15)12-9-19-21(4-2)11-12/h5-6,9,11,15,17-18H,3-4,7-8,10H2,1-2H3,(H,20,22)/t15-,17+/m1/s1
InChIKeyYUYIVMVTILHLFF-WBVHZDCISA-N
XLogP2.17
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylamino]piperidin-2-one
CID 129343145
(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(3-methylphenyl)methylamino]piperidin-2-one
CID 146133555
(5R,6S)-5-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 129007198
(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-2-one
CID 129003360
(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(5-fluoropyrimidin-2-yl)amino]piperidin-2-one
CID 129006867
(5R,6S)-5-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 129339101
(5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 124681117
5-chloro-6-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)-6-oxopiperidin-3-yl]amino]pyridine-3-carbonitrile
CID 129002631
(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one
CID 129002667
(5R,6S)-5-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 129001857
(5R,6S)-5-[(3-bromo-4-chlorophenyl)methylamino]-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 154797040
(5R,6S)-5-[[3-(2-methoxyethoxy)phenyl]methylamino]-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 129002540

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-[(5-ethylfuran-2-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of (5R,6S)-5-[(5-ethylfuran-2-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one (CID 128993535) is (5R,6S)-5-[(5-ethylfuran-2-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for (5R,6S)-5-[(5-ethylfuran-2-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for (5R,6S)-5-[(5-ethylfuran-2-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one is CCc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2cnn(CC)c2)o1.
What is the InChIKey of (5R,6S)-5-[(5-ethylfuran-2-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one?
The InChIKey is YUYIVMVTILHLFF-WBVHZDCISA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-13-5-6-14(23-13)10-18-15-7-8-16(22)20-17(15)12-9-19-21(4-2)11-12/h5-6,9,11,15,17-18H,3-4,7-8,10H2,1-2H3,(H,20,22)/t15-,17+/m1/s1.
What are the key properties of (5R,6S)-5-[(5-ethylfuran-2-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one?
(5R,6S)-5-[(5-ethylfuran-2-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one has a molecular weight of 316.41 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-[(5-ethylfuran-2-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 128993535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).