[(3S)-2-oxopiperidin-3-yl]methyl 2-(4-pyrazol-1-ylphenyl)acetate

C17H19N3O3 — CID 164513189

IUPAC[(3S)-2-oxopiperidin-3-yl]methyl 2-(4-pyrazol-1-ylphenyl)acetate
SMILESO=C(Cc1ccc(-n2cccn2)cc1)OC[C@@H]1CCCNC1=O
InChIInChI=1S/C17H19N3O3/c21-16(23-12-14-3-1-8-18-17(14)22)11-13-4-6-15(7-5-13)20-10-2-9-19-20/h2,4-7,9-10,14H,1,3,8,11-12H2,(H,18,22)/t14-/m0/s1
InChIKeyBBSKBVDQKLCENN-AWEZNQCLSA-N
MW313.36 g/mol
LogP1.48
Rot. Bonds5

About [(3S)-2-oxopiperidin-3-yl]methyl 2-(4-pyrazol-1-ylphenyl)acetate

[(3S)-2-oxopiperidin-3-yl]methyl 2-(4-pyrazol-1-ylphenyl)acetate (PubChem CID 164513189) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is [(3S)-2-oxopiperidin-3-yl]methyl 2-(4-pyrazol-1-ylphenyl)acetate.

Molecular Properties

Compound Name[(3S)-2-oxopiperidin-3-yl]methyl 2-(4-pyrazol-1-ylphenyl)acetate
PubChem CID164513189
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name[(3S)-2-oxopiperidin-3-yl]methyl 2-(4-pyrazol-1-ylphenyl)acetate
SMILESO=C(Cc1ccc(-n2cccn2)cc1)OC[C@@H]1CCCNC1=O
InChIInChI=1S/C17H19N3O3/c21-16(23-12-14-3-1-8-18-17(14)22)11-13-4-6-15(7-5-13)20-10-2-9-19-20/h2,4-7,9-10,14H,1,3,8,11-12H2,(H,18,22)/t14-/m0/s1
InChIKeyBBSKBVDQKLCENN-AWEZNQCLSA-N
XLogP1.48
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxopiperidin-3-yl]methyl 2-(4-pyrazol-1-ylphenyl)acetate?
The IUPAC name of [(3S)-2-oxopiperidin-3-yl]methyl 2-(4-pyrazol-1-ylphenyl)acetate (CID 164513189) is [(3S)-2-oxopiperidin-3-yl]methyl 2-(4-pyrazol-1-ylphenyl)acetate.
What is the SMILES notation for [(3S)-2-oxopiperidin-3-yl]methyl 2-(4-pyrazol-1-ylphenyl)acetate?
The canonical SMILES for [(3S)-2-oxopiperidin-3-yl]methyl 2-(4-pyrazol-1-ylphenyl)acetate is O=C(Cc1ccc(-n2cccn2)cc1)OC[C@@H]1CCCNC1=O.
What is the InChIKey of [(3S)-2-oxopiperidin-3-yl]methyl 2-(4-pyrazol-1-ylphenyl)acetate?
The InChIKey is BBSKBVDQKLCENN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-16(23-12-14-3-1-8-18-17(14)22)11-13-4-6-15(7-5-13)20-10-2-9-19-20/h2,4-7,9-10,14H,1,3,8,11-12H2,(H,18,22)/t14-/m0/s1.
What are the key properties of [(3S)-2-oxopiperidin-3-yl]methyl 2-(4-pyrazol-1-ylphenyl)acetate?
[(3S)-2-oxopiperidin-3-yl]methyl 2-(4-pyrazol-1-ylphenyl)acetate has a molecular weight of 313.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxopiperidin-3-yl]methyl 2-(4-pyrazol-1-ylphenyl)acetate is sourced from PubChem (CID 164513189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).