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

C10H16N4O — CID 86775911

IUPAC(5R,6S)-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-SCZZXKLOSA-N
MW208.26 g/mol
LogP0.18
Rot. Bonds2

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

(5R,6S)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one (PubChem CID 86775911) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (5R,6S)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one
PubChem CID86775911
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(5R,6S)-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-SCZZXKLOSA-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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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of (5R,6S)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one (CID 86775911) is (5R,6S)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for (5R,6S)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for (5R,6S)-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,6S)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one?
The InChIKey is SIAGUQYTBGASAB-SCZZXKLOSA-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,6S)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one?
(5R,6S)-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,6S)-5-amino-6-(1-ethylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 86775911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).