[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone

C13H22N4O2 — CID 70772202

IUPAC[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone
SMILESCCn1nc(C)c(C(=O)N2CC[C@@H](N)[C@H](O)C2)c1C
InChIInChI=1S/C13H22N4O2/c1-4-17-9(3)12(8(2)15-17)13(19)16-6-5-10(14)11(18)7-16/h10-11,18H,4-7,14H2,1-3H3/t10-,11-/m1/s1
InChIKeyPCLXGCVZZMXDMQ-GHMZBOCLSA-N
MW266.34 g/mol
LogP0.05
Rot. Bonds2

About [(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone

[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone (PubChem CID 70772202) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone
PubChem CID70772202
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone
SMILESCCn1nc(C)c(C(=O)N2CC[C@@H](N)[C@H](O)C2)c1C
InChIInChI=1S/C13H22N4O2/c1-4-17-9(3)12(8(2)15-17)13(19)16-6-5-10(14)11(18)7-16/h10-11,18H,4-7,14H2,1-3H3/t10-,11-/m1/s1
InChIKeyPCLXGCVZZMXDMQ-GHMZBOCLSA-N
XLogP0.05
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone?
The IUPAC name of [(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone (CID 70772202) is [(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for [(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone is CCn1nc(C)c(C(=O)N2CC[C@@H](N)[C@H](O)C2)c1C.
What is the InChIKey of [(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone?
The InChIKey is PCLXGCVZZMXDMQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-17-9(3)12(8(2)15-17)13(19)16-6-5-10(14)11(18)7-16/h10-11,18H,4-7,14H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of [(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone?
[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]-(1-ethyl-3,5-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 70772202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).