[3-[(3R)-piperidin-3-yl]-2-pyrazin-2-ylpropyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate

C26H35N3O3 — CID 69371647

IUPAC[3-[(3R)-piperidin-3-yl]-2-pyrazin-2-ylpropyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
SMILESO=C(OCC(C[C@H]1CCCNC1)c1cnccn1)C(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C26H35N3O3/c30-25(26(31,22-9-3-1-4-10-22)23-11-5-2-6-12-23)32-19-21(24-18-28-14-15-29-24)16-20-8-7-13-27-17-20/h1,3-4,9-10,14-15,18,20-21,23,27,31H,2,5-8,11-13,16-17,19H2/t20-,21?,26?/m1/s1
InChIKeyGXUFYRNNCWSBFC-BGPPBHKUSA-N
MW437.58 g/mol
LogP3.96
Rot. Bonds8

About [3-[(3R)-piperidin-3-yl]-2-pyrazin-2-ylpropyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate

[3-[(3R)-piperidin-3-yl]-2-pyrazin-2-ylpropyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate (PubChem CID 69371647) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is [3-[(3R)-piperidin-3-yl]-2-pyrazin-2-ylpropyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[3-[(3R)-piperidin-3-yl]-2-pyrazin-2-ylpropyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
PubChem CID69371647
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name[3-[(3R)-piperidin-3-yl]-2-pyrazin-2-ylpropyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
SMILESO=C(OCC(C[C@H]1CCCNC1)c1cnccn1)C(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C26H35N3O3/c30-25(26(31,22-9-3-1-4-10-22)23-11-5-2-6-12-23)32-19-21(24-18-28-14-15-29-24)16-20-8-7-13-27-17-20/h1,3-4,9-10,14-15,18,20-21,23,27,31H,2,5-8,11-13,16-17,19H2/t20-,21?,26?/m1/s1
InChIKeyGXUFYRNNCWSBFC-BGPPBHKUSA-N
XLogP3.96
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[(3R)-piperidin-3-yl]-2-pyrazin-2-ylpropyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate with MolForge

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Related Compounds

[3-[(3R)-piperidin-3-yl]-2-pyrimidin-5-ylpropyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 69369422
(3-piperidin-4-yl-2-pyrazin-2-ylpropyl) 2-hydroxy-2,2-diphenylacetate
CID 69370169
(4-piperidin-4-yl-2-pyrimidin-2-ylbutyl) 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 69370425
piperidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride
CID 134123321
[1-(2-amino-2-oxo-1-pyrazin-2-ylethyl)-1-methylpyrrolidin-1-ium-2-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 131730252
[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 11551423
2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 70868092
[1-methyl-1-(3-pyrazin-2-ylpropyl)pyrrolidin-1-ium-2-yl]methyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 69370497
[(3R)-3-pyridin-3-yl-4-pyrrolidin-1-ylbutyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 69369324
(4-piperidin-4-yl-2-pyrimidin-4-ylbutyl) 2-hydroxy-2,2-diphenylacetate
CID 69370198
but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 20689589
2-[(1R)-1-[2-[(3R)-piperidin-3-yl]ethoxy]ethyl]pyrazine
CID 97162546

Frequently Asked Questions

What is the IUPAC name of [3-[(3R)-piperidin-3-yl]-2-pyrazin-2-ylpropyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate?
The IUPAC name of [3-[(3R)-piperidin-3-yl]-2-pyrazin-2-ylpropyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate (CID 69371647) is [3-[(3R)-piperidin-3-yl]-2-pyrazin-2-ylpropyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate.
What is the SMILES notation for [3-[(3R)-piperidin-3-yl]-2-pyrazin-2-ylpropyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate?
The canonical SMILES for [3-[(3R)-piperidin-3-yl]-2-pyrazin-2-ylpropyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate is O=C(OCC(C[C@H]1CCCNC1)c1cnccn1)C(O)(c1ccccc1)C1CCCCC1.
What is the InChIKey of [3-[(3R)-piperidin-3-yl]-2-pyrazin-2-ylpropyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate?
The InChIKey is GXUFYRNNCWSBFC-BGPPBHKUSA-N. The full InChI is InChI=1S/C26H35N3O3/c30-25(26(31,22-9-3-1-4-10-22)23-11-5-2-6-12-23)32-19-21(24-18-28-14-15-29-24)16-20-8-7-13-27-17-20/h1,3-4,9-10,14-15,18,20-21,23,27,31H,2,5-8,11-13,16-17,19H2/t20-,21?,26?/m1/s1.
What are the key properties of [3-[(3R)-piperidin-3-yl]-2-pyrazin-2-ylpropyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate?
[3-[(3R)-piperidin-3-yl]-2-pyrazin-2-ylpropyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate has a molecular weight of 437.58 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3R)-piperidin-3-yl]-2-pyrazin-2-ylpropyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 69371647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).