methyl (2R)-2-phenyl-2-[(2R)-1-(5-phenylpentyl)piperidin-2-yl]acetate

C25H33NO2 — CID 52943691

IUPACmethyl (2R)-2-phenyl-2-[(2R)-1-(5-phenylpentyl)piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1CCCCCc1ccccc1
InChIInChI=1S/C25H33NO2/c1-28-25(27)24(22-16-8-3-9-17-22)23-18-10-12-20-26(23)19-11-4-7-15-21-13-5-2-6-14-21/h2-3,5-6,8-9,13-14,16-17,23-24H,4,7,10-12,15,18-20H2,1H3/t23-,24-/m1/s1
InChIKeyCYCPZJLWKPRDTM-DNQXCXABSA-N
MW379.54 g/mol
LogP5.21
Rot. Bonds9

About methyl (2R)-2-phenyl-2-[(2R)-1-(5-phenylpentyl)piperidin-2-yl]acetate

methyl (2R)-2-phenyl-2-[(2R)-1-(5-phenylpentyl)piperidin-2-yl]acetate (PubChem CID 52943691) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is methyl (2R)-2-phenyl-2-[(2R)-1-(5-phenylpentyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-phenyl-2-[(2R)-1-(5-phenylpentyl)piperidin-2-yl]acetate
PubChem CID52943691
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC Namemethyl (2R)-2-phenyl-2-[(2R)-1-(5-phenylpentyl)piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1CCCCCc1ccccc1
InChIInChI=1S/C25H33NO2/c1-28-25(27)24(22-16-8-3-9-17-22)23-18-10-12-20-26(23)19-11-4-7-15-21-13-5-2-6-14-21/h2-3,5-6,8-9,13-14,16-17,23-24H,4,7,10-12,15,18-20H2,1H3/t23-,24-/m1/s1
InChIKeyCYCPZJLWKPRDTM-DNQXCXABSA-N
XLogP5.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-phenyl-2-[(2R)-1-(5-phenylpentyl)piperidin-2-yl]acetate?
The IUPAC name of methyl (2R)-2-phenyl-2-[(2R)-1-(5-phenylpentyl)piperidin-2-yl]acetate (CID 52943691) is methyl (2R)-2-phenyl-2-[(2R)-1-(5-phenylpentyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-phenyl-2-[(2R)-1-(5-phenylpentyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-phenyl-2-[(2R)-1-(5-phenylpentyl)piperidin-2-yl]acetate is COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1CCCCCc1ccccc1.
What is the InChIKey of methyl (2R)-2-phenyl-2-[(2R)-1-(5-phenylpentyl)piperidin-2-yl]acetate?
The InChIKey is CYCPZJLWKPRDTM-DNQXCXABSA-N. The full InChI is InChI=1S/C25H33NO2/c1-28-25(27)24(22-16-8-3-9-17-22)23-18-10-12-20-26(23)19-11-4-7-15-21-13-5-2-6-14-21/h2-3,5-6,8-9,13-14,16-17,23-24H,4,7,10-12,15,18-20H2,1H3/t23-,24-/m1/s1.
What are the key properties of methyl (2R)-2-phenyl-2-[(2R)-1-(5-phenylpentyl)piperidin-2-yl]acetate?
methyl (2R)-2-phenyl-2-[(2R)-1-(5-phenylpentyl)piperidin-2-yl]acetate has a molecular weight of 379.54 g/mol, XLogP of 5.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-phenyl-2-[(2R)-1-(5-phenylpentyl)piperidin-2-yl]acetate is sourced from PubChem (CID 52943691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).