(5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one

C10H16N4O — CID 124681117

IUPAC(5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one
SMILESCCn1cc([C@H]2NC(=O)CC[C@H]2N)cn1
InChIInChI=1S/C10H16N4O/c1-2-14-6-7(5-12-14)10-8(11)3-4-9(15)13-10/h5-6,8,10H,2-4,11H2,1H3,(H,13,15)/t8-,10-/m1/s1
InChIKeySIAGUQYTBGASAB-PSASIEDQSA-N
MW208.26 g/mol
LogP0.18
Rot. Bonds2

About (5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one

(5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one (PubChem CID 124681117) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one
PubChem CID124681117
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one
SMILESCCn1cc([C@H]2NC(=O)CC[C@H]2N)cn1
InChIInChI=1S/C10H16N4O/c1-2-14-6-7(5-12-14)10-8(11)3-4-9(15)13-10/h5-6,8,10H,2-4,11H2,1H3,(H,13,15)/t8-,10-/m1/s1
InChIKeySIAGUQYTBGASAB-PSASIEDQSA-N
XLogP0.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5R,6S)-5-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 129339101
(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(5-fluoropyrimidin-2-yl)amino]piperidin-2-one
CID 129006867
5-amino-1-cyclopropyl-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 103570764
(5R,6S)-5-[(5-ethylfuran-2-yl)methylamino]-6-(1-ethylpyrazol-4-yl)piperidin-2-one
CID 128993535
(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[(3-methylphenyl)methylamino]piperidin-2-one
CID 146133555
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-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-2-one
CID 129003360
(5R,6S)-6-(1-ethylpyrazol-4-yl)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylamino]piperidin-2-one
CID 129343145
2-(1-ethylpyrazol-4-yl)oxolan-3-amine
CID 103848592
(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
3-cyclopropyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione
CID 64961091

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of (5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one (CID 124681117) is (5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for (5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for (5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one is CCn1cc([C@H]2NC(=O)CC[C@H]2N)cn1.
What is the InChIKey of (5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one?
The InChIKey is SIAGUQYTBGASAB-PSASIEDQSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-14-6-7(5-12-14)10-8(11)3-4-9(15)13-10/h5-6,8,10H,2-4,11H2,1H3,(H,13,15)/t8-,10-/m1/s1.
What are the key properties of (5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one?
(5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 124681117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).