(E)-3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)prop-2-enamide

C25H30N2O — CID 11559820

IUPAC(E)-3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCCN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C25H30N2O/c28-24(12-11-21-7-2-1-3-8-21)26-17-6-18-27-19-15-25(16-20-27)14-13-22-9-4-5-10-23(22)25/h1-5,7-12H,6,13-20H2,(H,26,28)/b12-11+
InChIKeyQITHKMFBAHBZTH-VAWYXSNFSA-N
MW374.53 g/mol
LogP4.19
Rot. Bonds6

About (E)-3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)prop-2-enamide

(E)-3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)prop-2-enamide (PubChem CID 11559820) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is (E)-3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)prop-2-enamide
PubChem CID11559820
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name(E)-3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCCN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C25H30N2O/c28-24(12-11-21-7-2-1-3-8-21)26-17-6-18-27-19-15-25(16-20-27)14-13-22-9-4-5-10-23(22)25/h1-5,7-12H,6,13-20H2,(H,26,28)/b12-11+
InChIKeyQITHKMFBAHBZTH-VAWYXSNFSA-N
XLogP4.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)prop-2-enamide (CID 11559820) is (E)-3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)prop-2-enamide is O=C(/C=C/c1ccccc1)NCCCN1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of (E)-3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)prop-2-enamide?
The InChIKey is QITHKMFBAHBZTH-VAWYXSNFSA-N. The full InChI is InChI=1S/C25H30N2O/c28-24(12-11-21-7-2-1-3-8-21)26-17-6-18-27-19-15-25(16-20-27)14-13-22-9-4-5-10-23(22)25/h1-5,7-12H,6,13-20H2,(H,26,28)/b12-11+.
What are the key properties of (E)-3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)prop-2-enamide?
(E)-3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)prop-2-enamide has a molecular weight of 374.53 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)prop-2-enamide is sourced from PubChem (CID 11559820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).