2-hydroxy-1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone

C15H21N5O2 — CID 22282869

IUPAC2-hydroxy-1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone
SMILESCC1CCN(C(=O)CO)CC1N(C)c1ncnc2[nH]ccc12
InChIInChI=1S/C15H21N5O2/c1-10-4-6-20(13(22)8-21)7-12(10)19(2)15-11-3-5-16-14(11)17-9-18-15/h3,5,9-10,12,21H,4,6-8H2,1-2H3,(H,16,17,18)
InChIKeyCCOHWQFOFWCBMH-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.62
Rot. Bonds3

About 2-hydroxy-1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone

2-hydroxy-1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone (PubChem CID 22282869) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-hydroxy-1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone
PubChem CID22282869
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name2-hydroxy-1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone
SMILESCC1CCN(C(=O)CO)CC1N(C)c1ncnc2[nH]ccc12
InChIInChI=1S/C15H21N5O2/c1-10-4-6-20(13(22)8-21)7-12(10)19(2)15-11-3-5-16-14(11)17-9-18-15/h3,5,9-10,12,21H,4,6-8H2,1-2H3,(H,16,17,18)
InChIKeyCCOHWQFOFWCBMH-UHFFFAOYSA-N
XLogP0.62
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone (CID 22282869) is 2-hydroxy-1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone is CC1CCN(C(=O)CO)CC1N(C)c1ncnc2[nH]ccc12.
What is the InChIKey of 2-hydroxy-1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is CCOHWQFOFWCBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10-4-6-20(13(22)8-21)7-12(10)19(2)15-11-3-5-16-14(11)17-9-18-15/h3,5,9-10,12,21H,4,6-8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-hydroxy-1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
2-hydroxy-1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 303.37 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 22282869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).