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

C26H34N2O — CID 11523972

IUPAC4-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)butanamide
SMILESO=C(CCCc1ccccc1)NCCCN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C26H34N2O/c29-25(13-6-10-22-8-2-1-3-9-22)27-18-7-19-28-20-16-26(17-21-28)15-14-23-11-4-5-12-24(23)26/h1-5,8-9,11-12H,6-7,10,13-21H2,(H,27,29)
InChIKeySLJZYRVGYQVITF-UHFFFAOYSA-N
MW390.57 g/mol
LogP4.50
Rot. Bonds8

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

4-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)butanamide (PubChem CID 11523972) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is 4-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)butanamide.

Molecular Properties

Compound Name4-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)butanamide
PubChem CID11523972
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC Name4-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)butanamide
SMILESO=C(CCCc1ccccc1)NCCCN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C26H34N2O/c29-25(13-6-10-22-8-2-1-3-9-22)27-18-7-19-28-20-16-26(17-21-28)15-14-23-11-4-5-12-24(23)26/h1-5,8-9,11-12H,6-7,10,13-21H2,(H,27,29)
InChIKeySLJZYRVGYQVITF-UHFFFAOYSA-N
XLogP4.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Indecainide
CID 52195
Indecainide Hydrochloride
CID 52194
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-diphenylacetamide
CID 9950970
6-(2-(9H-fluoren-9-ylidene)acetamido)-N-hydroxyhexanamide
CID 9924543
N-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide
CID 11767229
(2R)-1-benzyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)pyrrolidine-2-carboxamide
CID 11511090
(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45263511
(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45263512
(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-prop-2-enylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45263515
(1S)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45263516
(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-ethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45265877
(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45265878

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)butanamide?
The IUPAC name of 4-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)butanamide (CID 11523972) is 4-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)butanamide.
What is the SMILES notation for 4-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)butanamide?
The canonical SMILES for 4-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)butanamide is O=C(CCCc1ccccc1)NCCCN1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of 4-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)butanamide?
The InChIKey is SLJZYRVGYQVITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O/c29-25(13-6-10-22-8-2-1-3-9-22)27-18-7-19-28-20-16-26(17-21-28)15-14-23-11-4-5-12-24(23)26/h1-5,8-9,11-12H,6-7,10,13-21H2,(H,27,29).
What are the key properties of 4-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)butanamide?
4-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)butanamide has a molecular weight of 390.57 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)butanamide is sourced from PubChem (CID 11523972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).