methyl (2Z)-3-phenyl-2-[1-[(1S)-1-phenylethyl]piperidin-2-ylidene]propanoate

C23H27NO2 — CID 11624457

IUPACmethyl (2Z)-3-phenyl-2-[1-[(1S)-1-phenylethyl]piperidin-2-ylidene]propanoate
SMILESCOC(=O)/C(Cc1ccccc1)=C1/CCCCN1[C@@H](C)c1ccccc1
InChIInChI=1S/C23H27NO2/c1-18(20-13-7-4-8-14-20)24-16-10-9-15-22(24)21(23(25)26-2)17-19-11-5-3-6-12-19/h3-8,11-14,18H,9-10,15-17H2,1-2H3/b22-21-/t18-/m0/s1
InChIKeyWJPUQSSVOWJJAP-ZREAOVPFSA-N
MW349.47 g/mol
LogP4.90
Rot. Bonds5

About methyl (2Z)-3-phenyl-2-[1-[(1S)-1-phenylethyl]piperidin-2-ylidene]propanoate

methyl (2Z)-3-phenyl-2-[1-[(1S)-1-phenylethyl]piperidin-2-ylidene]propanoate (PubChem CID 11624457) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is methyl (2Z)-3-phenyl-2-[1-[(1S)-1-phenylethyl]piperidin-2-ylidene]propanoate.

Molecular Properties

Compound Namemethyl (2Z)-3-phenyl-2-[1-[(1S)-1-phenylethyl]piperidin-2-ylidene]propanoate
PubChem CID11624457
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Namemethyl (2Z)-3-phenyl-2-[1-[(1S)-1-phenylethyl]piperidin-2-ylidene]propanoate
SMILESCOC(=O)/C(Cc1ccccc1)=C1/CCCCN1[C@@H](C)c1ccccc1
InChIInChI=1S/C23H27NO2/c1-18(20-13-7-4-8-14-20)24-16-10-9-15-22(24)21(23(25)26-2)17-19-11-5-3-6-12-19/h3-8,11-14,18H,9-10,15-17H2,1-2H3/b22-21-/t18-/m0/s1
InChIKeyWJPUQSSVOWJJAP-ZREAOVPFSA-N
XLogP4.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-3-phenyl-2-[1-[(1S)-1-phenylethyl]piperidin-2-ylidene]propanoate?
The IUPAC name of methyl (2Z)-3-phenyl-2-[1-[(1S)-1-phenylethyl]piperidin-2-ylidene]propanoate (CID 11624457) is methyl (2Z)-3-phenyl-2-[1-[(1S)-1-phenylethyl]piperidin-2-ylidene]propanoate.
What is the SMILES notation for methyl (2Z)-3-phenyl-2-[1-[(1S)-1-phenylethyl]piperidin-2-ylidene]propanoate?
The canonical SMILES for methyl (2Z)-3-phenyl-2-[1-[(1S)-1-phenylethyl]piperidin-2-ylidene]propanoate is COC(=O)/C(Cc1ccccc1)=C1/CCCCN1[C@@H](C)c1ccccc1.
What is the InChIKey of methyl (2Z)-3-phenyl-2-[1-[(1S)-1-phenylethyl]piperidin-2-ylidene]propanoate?
The InChIKey is WJPUQSSVOWJJAP-ZREAOVPFSA-N. The full InChI is InChI=1S/C23H27NO2/c1-18(20-13-7-4-8-14-20)24-16-10-9-15-22(24)21(23(25)26-2)17-19-11-5-3-6-12-19/h3-8,11-14,18H,9-10,15-17H2,1-2H3/b22-21-/t18-/m0/s1.
What are the key properties of methyl (2Z)-3-phenyl-2-[1-[(1S)-1-phenylethyl]piperidin-2-ylidene]propanoate?
methyl (2Z)-3-phenyl-2-[1-[(1S)-1-phenylethyl]piperidin-2-ylidene]propanoate has a molecular weight of 349.47 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-3-phenyl-2-[1-[(1S)-1-phenylethyl]piperidin-2-ylidene]propanoate is sourced from PubChem (CID 11624457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).