(3-piperidin-4-yl-2-pyrazin-2-ylpropyl) 2-hydroxy-2,2-diphenylacetate

C26H29N3O3 — CID 69370169

IUPAC(3-piperidin-4-yl-2-pyrazin-2-ylpropyl) 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OCC(CC1CCNCC1)c1cnccn1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29N3O3/c30-25(26(31,22-7-3-1-4-8-22)23-9-5-2-6-10-23)32-19-21(24-18-28-15-16-29-24)17-20-11-13-27-14-12-20/h1-10,15-16,18,20-21,27,31H,11-14,17,19H2
InChIKeyZWWFGBROMXVCDE-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.43
Rot. Bonds8

About (3-piperidin-4-yl-2-pyrazin-2-ylpropyl) 2-hydroxy-2,2-diphenylacetate

(3-piperidin-4-yl-2-pyrazin-2-ylpropyl) 2-hydroxy-2,2-diphenylacetate (PubChem CID 69370169) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is (3-piperidin-4-yl-2-pyrazin-2-ylpropyl) 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name(3-piperidin-4-yl-2-pyrazin-2-ylpropyl) 2-hydroxy-2,2-diphenylacetate
PubChem CID69370169
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name(3-piperidin-4-yl-2-pyrazin-2-ylpropyl) 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OCC(CC1CCNCC1)c1cnccn1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29N3O3/c30-25(26(31,22-7-3-1-4-8-22)23-9-5-2-6-10-23)32-19-21(24-18-28-15-16-29-24)17-20-11-13-27-14-12-20/h1-10,15-16,18,20-21,27,31H,11-14,17,19H2
InChIKeyZWWFGBROMXVCDE-UHFFFAOYSA-N
XLogP3.43
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-piperidin-4-yl-2-pyridin-3-ylbutyl) 2-hydroxy-2,2-diphenylacetate
CID 69370141
(4-piperidin-4-yl-2-pyrimidin-4-ylbutyl) 2-hydroxy-2,2-diphenylacetate
CID 69370198
[3-[(3R)-piperidin-3-yl]-2-pyrazin-2-ylpropyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 69371647
[(2R)-1-(2-amino-2-oxo-1-pyrazin-2-ylethyl)-1-methylpyrrolidin-1-ium-2-yl]methyl 2-hydroxy-2,2-diphenylacetate
CID 87197880
(4-piperidin-4-yl-2-pyrimidin-2-ylbutyl) 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 69370425
1-piperidin-4-ylethyl 2-hydroxy-2,2-diphenylacetate
CID 67195129
piperidin-4-ylmethyl (2S)-2-hydroxy-2-(3-hydroxyphenyl)-2-phenylacetate;sulfane;hydrochloride
CID 157100174
2-hydroxy-2,2-diphenyl-N-(piperidin-4-ylmethyl)acetamide
CID 10403987
[3-[(3R)-piperidin-3-yl]-2-pyrimidin-5-ylpropyl] 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 69369422
2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate
CID 155076034
cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate
CID 7191546
[(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate
CID 10613945

Frequently Asked Questions

What is the IUPAC name of (3-piperidin-4-yl-2-pyrazin-2-ylpropyl) 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of (3-piperidin-4-yl-2-pyrazin-2-ylpropyl) 2-hydroxy-2,2-diphenylacetate (CID 69370169) is (3-piperidin-4-yl-2-pyrazin-2-ylpropyl) 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for (3-piperidin-4-yl-2-pyrazin-2-ylpropyl) 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for (3-piperidin-4-yl-2-pyrazin-2-ylpropyl) 2-hydroxy-2,2-diphenylacetate is O=C(OCC(CC1CCNCC1)c1cnccn1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-piperidin-4-yl-2-pyrazin-2-ylpropyl) 2-hydroxy-2,2-diphenylacetate?
The InChIKey is ZWWFGBROMXVCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c30-25(26(31,22-7-3-1-4-8-22)23-9-5-2-6-10-23)32-19-21(24-18-28-15-16-29-24)17-20-11-13-27-14-12-20/h1-10,15-16,18,20-21,27,31H,11-14,17,19H2.
What are the key properties of (3-piperidin-4-yl-2-pyrazin-2-ylpropyl) 2-hydroxy-2,2-diphenylacetate?
(3-piperidin-4-yl-2-pyrazin-2-ylpropyl) 2-hydroxy-2,2-diphenylacetate has a molecular weight of 431.54 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-piperidin-4-yl-2-pyrazin-2-ylpropyl) 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 69370169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).