[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate

C24H27NO4 — CID 7716147

IUPAC[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(/C=C/C(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H27NO4/c1-2-28-21-14-11-19(12-15-21)13-16-22(26)29-23(20-9-5-3-6-10-20)24(27)25-17-7-4-8-18-25/h3,5-6,9-16,23H,2,4,7-8,17-18H2,1H3/b16-13+/t23-/m1/s1
InChIKeyVCJGXJCHFAVVFF-HRNYAPDYSA-N
MW393.48 g/mol
LogP4.40
Rot. Bonds7

About [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate

[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate (PubChem CID 7716147) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
PubChem CID7716147
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(/C=C/C(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H27NO4/c1-2-28-21-14-11-19(12-15-21)13-16-22(26)29-23(20-9-5-3-6-10-20)24(27)25-17-7-4-8-18-25/h3,5-6,9-16,23H,2,4,7-8,17-18H2,1H3/b16-13+/t23-/m1/s1
InChIKeyVCJGXJCHFAVVFF-HRNYAPDYSA-N
XLogP4.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 7700496
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 8601135
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7703317
(2-morpholin-4-yl-2-oxo-1-phenylethyl) (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 45355303
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7697931
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate
CID 8641093
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoate
CID 24579228
(E)-3-(4-ethoxyphenyl)-1-[4-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one
CID 17228057
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate
CID 8908487
(E)-N-(azepane-1-carbothioyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227391
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate
CID 7704937

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate?
The IUPAC name of [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate (CID 7716147) is [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate.
What is the SMILES notation for [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate?
The canonical SMILES for [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate is CCOc1ccc(/C=C/C(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate?
The InChIKey is VCJGXJCHFAVVFF-HRNYAPDYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-2-28-21-14-11-19(12-15-21)13-16-22(26)29-23(20-9-5-3-6-10-20)24(27)25-17-7-4-8-18-25/h3,5-6,9-16,23H,2,4,7-8,17-18H2,1H3/b16-13+/t23-/m1/s1.
What are the key properties of [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate?
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate has a molecular weight of 393.48 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 7716147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).