[(2S)-1-pyrazin-2-ylpiperidin-2-yl]methyl 4-pyrazol-1-ylbenzoate

C20H21N5O2 — CID 124849998

IUPAC[(2S)-1-pyrazin-2-ylpiperidin-2-yl]methyl 4-pyrazol-1-ylbenzoate
SMILESO=C(OC[C@@H]1CCCCN1c1cnccn1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H21N5O2/c26-20(16-5-7-17(8-6-16)25-13-3-9-23-25)27-15-18-4-1-2-12-24(18)19-14-21-10-11-22-19/h3,5-11,13-14,18H,1-2,4,12,15H2/t18-/m0/s1
InChIKeyPVSLUMIGIPJDNM-SFHVURJKSA-N
MW363.42 g/mol
LogP2.88
Rot. Bonds5

About [(2S)-1-pyrazin-2-ylpiperidin-2-yl]methyl 4-pyrazol-1-ylbenzoate

[(2S)-1-pyrazin-2-ylpiperidin-2-yl]methyl 4-pyrazol-1-ylbenzoate (PubChem CID 124849998) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is [(2S)-1-pyrazin-2-ylpiperidin-2-yl]methyl 4-pyrazol-1-ylbenzoate.

Molecular Properties

Compound Name[(2S)-1-pyrazin-2-ylpiperidin-2-yl]methyl 4-pyrazol-1-ylbenzoate
PubChem CID124849998
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name[(2S)-1-pyrazin-2-ylpiperidin-2-yl]methyl 4-pyrazol-1-ylbenzoate
SMILESO=C(OC[C@@H]1CCCCN1c1cnccn1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H21N5O2/c26-20(16-5-7-17(8-6-16)25-13-3-9-23-25)27-15-18-4-1-2-12-24(18)19-14-21-10-11-22-19/h3,5-11,13-14,18H,1-2,4,12,15H2/t18-/m0/s1
InChIKeyPVSLUMIGIPJDNM-SFHVURJKSA-N
XLogP2.88
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 119467259
[2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 43421347
(1-methylpiperidin-2-yl)methyl pyridine-4-carboxylate
CID 23904865
(4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 51535248
3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid
CID 124701383
(4-pyrazol-1-ylphenyl)methyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate
CID 75675470
[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl pyridine-3-carboxylate
CID 58514351
(4-pyrazol-1-ylphenyl)methyl 1-methylpyrazole-4-carboxylate
CID 40767413
(4-pyrazol-1-ylphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16571182
(4-pyrazol-1-ylphenyl)methyl cyclohex-3-ene-1-carboxylate
CID 60607313
ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate
CID 103613521
1-(1-pyrazin-2-ylpiperidin-2-yl)ethanone
CID 63845687

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-pyrazin-2-ylpiperidin-2-yl]methyl 4-pyrazol-1-ylbenzoate?
The IUPAC name of [(2S)-1-pyrazin-2-ylpiperidin-2-yl]methyl 4-pyrazol-1-ylbenzoate (CID 124849998) is [(2S)-1-pyrazin-2-ylpiperidin-2-yl]methyl 4-pyrazol-1-ylbenzoate.
What is the SMILES notation for [(2S)-1-pyrazin-2-ylpiperidin-2-yl]methyl 4-pyrazol-1-ylbenzoate?
The canonical SMILES for [(2S)-1-pyrazin-2-ylpiperidin-2-yl]methyl 4-pyrazol-1-ylbenzoate is O=C(OC[C@@H]1CCCCN1c1cnccn1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of [(2S)-1-pyrazin-2-ylpiperidin-2-yl]methyl 4-pyrazol-1-ylbenzoate?
The InChIKey is PVSLUMIGIPJDNM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-20(16-5-7-17(8-6-16)25-13-3-9-23-25)27-15-18-4-1-2-12-24(18)19-14-21-10-11-22-19/h3,5-11,13-14,18H,1-2,4,12,15H2/t18-/m0/s1.
What are the key properties of [(2S)-1-pyrazin-2-ylpiperidin-2-yl]methyl 4-pyrazol-1-ylbenzoate?
[(2S)-1-pyrazin-2-ylpiperidin-2-yl]methyl 4-pyrazol-1-ylbenzoate has a molecular weight of 363.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-pyrazin-2-ylpiperidin-2-yl]methyl 4-pyrazol-1-ylbenzoate is sourced from PubChem (CID 124849998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).