1-methyl-5-[4-[(E)-2-phenylethenyl]phenyl]piperidin-2-one

C20H21NO — CID 10469538

IUPAC1-methyl-5-[4-[(E)-2-phenylethenyl]phenyl]piperidin-2-one
SMILESCN1CC(c2ccc(/C=C/c3ccccc3)cc2)CCC1=O
InChIInChI=1S/C20H21NO/c1-21-15-19(13-14-20(21)22)18-11-9-17(10-12-18)8-7-16-5-3-2-4-6-16/h2-12,19H,13-15H2,1H3/b8-7+
InChIKeyDZSINVCETJXSLF-BQYQJAHWSA-N
MW291.39 g/mol
LogP4.19
Rot. Bonds3

About 1-methyl-5-[4-[(E)-2-phenylethenyl]phenyl]piperidin-2-one

1-methyl-5-[4-[(E)-2-phenylethenyl]phenyl]piperidin-2-one (PubChem CID 10469538) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-methyl-5-[4-[(E)-2-phenylethenyl]phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[4-[(E)-2-phenylethenyl]phenyl]piperidin-2-one
PubChem CID10469538
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1-methyl-5-[4-[(E)-2-phenylethenyl]phenyl]piperidin-2-one
SMILESCN1CC(c2ccc(/C=C/c3ccccc3)cc2)CCC1=O
InChIInChI=1S/C20H21NO/c1-21-15-19(13-14-20(21)22)18-11-9-17(10-12-18)8-7-16-5-3-2-4-6-16/h2-12,19H,13-15H2,1H3/b8-7+
InChIKeyDZSINVCETJXSLF-BQYQJAHWSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-[(E)-2-phenylethenyl]phenyl]piperidin-2-one?
The IUPAC name of 1-methyl-5-[4-[(E)-2-phenylethenyl]phenyl]piperidin-2-one (CID 10469538) is 1-methyl-5-[4-[(E)-2-phenylethenyl]phenyl]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[4-[(E)-2-phenylethenyl]phenyl]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[4-[(E)-2-phenylethenyl]phenyl]piperidin-2-one is CN1CC(c2ccc(/C=C/c3ccccc3)cc2)CCC1=O.
What is the InChIKey of 1-methyl-5-[4-[(E)-2-phenylethenyl]phenyl]piperidin-2-one?
The InChIKey is DZSINVCETJXSLF-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H21NO/c1-21-15-19(13-14-20(21)22)18-11-9-17(10-12-18)8-7-16-5-3-2-4-6-16/h2-12,19H,13-15H2,1H3/b8-7+.
What are the key properties of 1-methyl-5-[4-[(E)-2-phenylethenyl]phenyl]piperidin-2-one?
1-methyl-5-[4-[(E)-2-phenylethenyl]phenyl]piperidin-2-one has a molecular weight of 291.39 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-[(E)-2-phenylethenyl]phenyl]piperidin-2-one is sourced from PubChem (CID 10469538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).