methyl (2R)-2-[(2R)-1-(furan-2-ylmethyl)piperidin-2-yl]-2-phenylacetate

C19H23NO3 — CID 52947085

IUPACmethyl (2R)-2-[(2R)-1-(furan-2-ylmethyl)piperidin-2-yl]-2-phenylacetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccco1
InChIInChI=1S/C19H23NO3/c1-22-19(21)18(15-8-3-2-4-9-15)17-11-5-6-12-20(17)14-16-10-7-13-23-16/h2-4,7-10,13,17-18H,5-6,11-12,14H2,1H3/t17-,18-/m1/s1
InChIKeyPKLJJOYWJBBUAO-QZTJIDSGSA-N
MW313.40 g/mol
LogP3.59
Rot. Bonds5

About methyl (2R)-2-[(2R)-1-(furan-2-ylmethyl)piperidin-2-yl]-2-phenylacetate

methyl (2R)-2-[(2R)-1-(furan-2-ylmethyl)piperidin-2-yl]-2-phenylacetate (PubChem CID 52947085) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is methyl (2R)-2-[(2R)-1-(furan-2-ylmethyl)piperidin-2-yl]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2R)-1-(furan-2-ylmethyl)piperidin-2-yl]-2-phenylacetate
PubChem CID52947085
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Namemethyl (2R)-2-[(2R)-1-(furan-2-ylmethyl)piperidin-2-yl]-2-phenylacetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccco1
InChIInChI=1S/C19H23NO3/c1-22-19(21)18(15-8-3-2-4-9-15)17-11-5-6-12-20(17)14-16-10-7-13-23-16/h2-4,7-10,13,17-18H,5-6,11-12,14H2,1H3/t17-,18-/m1/s1
InChIKeyPKLJJOYWJBBUAO-QZTJIDSGSA-N
XLogP3.59
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2R)-1-(furan-2-ylmethyl)piperidin-2-yl]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[(2R)-1-(furan-2-ylmethyl)piperidin-2-yl]-2-phenylacetate (CID 52947085) is methyl (2R)-2-[(2R)-1-(furan-2-ylmethyl)piperidin-2-yl]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[(2R)-1-(furan-2-ylmethyl)piperidin-2-yl]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[(2R)-1-(furan-2-ylmethyl)piperidin-2-yl]-2-phenylacetate is COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccco1.
What is the InChIKey of methyl (2R)-2-[(2R)-1-(furan-2-ylmethyl)piperidin-2-yl]-2-phenylacetate?
The InChIKey is PKLJJOYWJBBUAO-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H23NO3/c1-22-19(21)18(15-8-3-2-4-9-15)17-11-5-6-12-20(17)14-16-10-7-13-23-16/h2-4,7-10,13,17-18H,5-6,11-12,14H2,1H3/t17-,18-/m1/s1.
What are the key properties of methyl (2R)-2-[(2R)-1-(furan-2-ylmethyl)piperidin-2-yl]-2-phenylacetate?
methyl (2R)-2-[(2R)-1-(furan-2-ylmethyl)piperidin-2-yl]-2-phenylacetate has a molecular weight of 313.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2R)-1-(furan-2-ylmethyl)piperidin-2-yl]-2-phenylacetate is sourced from PubChem (CID 52947085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).