[(E)-3-phenylprop-2-enyl] 1-acetyl-4-phenylpiperidine-4-carboxylate

C23H25NO3 — CID 42976592

IUPAC[(E)-3-phenylprop-2-enyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
SMILESCC(=O)N1CCC(C(=O)OC/C=C/c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C23H25NO3/c1-19(25)24-16-14-23(15-17-24,21-12-6-3-7-13-21)22(26)27-18-8-11-20-9-4-2-5-10-20/h2-13H,14-18H2,1H3/b11-8+
InChIKeySCISZZVHUYHYIO-DHZHZOJOSA-N
MW363.46 g/mol
LogP3.82
Rot. Bonds5

About [(E)-3-phenylprop-2-enyl] 1-acetyl-4-phenylpiperidine-4-carboxylate

[(E)-3-phenylprop-2-enyl] 1-acetyl-4-phenylpiperidine-4-carboxylate (PubChem CID 42976592) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] 1-acetyl-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
PubChem CID42976592
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name[(E)-3-phenylprop-2-enyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
SMILESCC(=O)N1CCC(C(=O)OC/C=C/c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C23H25NO3/c1-19(25)24-16-14-23(15-17-24,21-12-6-3-7-13-21)22(26)27-18-8-11-20-9-4-2-5-10-20/h2-13H,14-18H2,1H3/b11-8+
InChIKeySCISZZVHUYHYIO-DHZHZOJOSA-N
XLogP3.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] 1-acetyl-4-phenylpiperidine-4-carboxylate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] 1-acetyl-4-phenylpiperidine-4-carboxylate (CID 42976592) is [(E)-3-phenylprop-2-enyl] 1-acetyl-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] 1-acetyl-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] 1-acetyl-4-phenylpiperidine-4-carboxylate is CC(=O)N1CCC(C(=O)OC/C=C/c2ccccc2)(c2ccccc2)CC1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] 1-acetyl-4-phenylpiperidine-4-carboxylate?
The InChIKey is SCISZZVHUYHYIO-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H25NO3/c1-19(25)24-16-14-23(15-17-24,21-12-6-3-7-13-21)22(26)27-18-8-11-20-9-4-2-5-10-20/h2-13H,14-18H2,1H3/b11-8+.
What are the key properties of [(E)-3-phenylprop-2-enyl] 1-acetyl-4-phenylpiperidine-4-carboxylate?
[(E)-3-phenylprop-2-enyl] 1-acetyl-4-phenylpiperidine-4-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] 1-acetyl-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 42976592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).