2-[3-oxo-3-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)propyl]isoindole-1,3-dione

C30H26N2O4 — CID 108754046

IUPAC2-[3-oxo-3-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)propyl]isoindole-1,3-dione
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)N1CCC2(C=Cc3cc(-c4ccccc4)ccc3O2)CC1
InChIInChI=1S/C30H26N2O4/c33-27(13-17-32-28(34)24-8-4-5-9-25(24)29(32)35)31-18-15-30(16-19-31)14-12-23-20-22(10-11-26(23)36-30)21-6-2-1-3-7-21/h1-12,14,20H,13,15-19H2
InChIKeySARRHJOCFBIRFU-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.81
Rot. Bonds4

About 2-[3-oxo-3-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)propyl]isoindole-1,3-dione

2-[3-oxo-3-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)propyl]isoindole-1,3-dione (PubChem CID 108754046) has the molecular formula C30H26N2O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 2-[3-oxo-3-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-oxo-3-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)propyl]isoindole-1,3-dione
PubChem CID108754046
Molecular FormulaC30H26N2O4
Molecular Weight478.55 g/mol
Exact Mass478.19
IUPAC Name2-[3-oxo-3-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)propyl]isoindole-1,3-dione
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)N1CCC2(C=Cc3cc(-c4ccccc4)ccc3O2)CC1
InChIInChI=1S/C30H26N2O4/c33-27(13-17-32-28(34)24-8-4-5-9-25(24)29(32)35)31-18-15-30(16-19-31)14-12-23-20-22(10-11-26(23)36-30)21-6-2-1-3-7-21/h1-12,14,20H,13,15-19H2
InChIKeySARRHJOCFBIRFU-UHFFFAOYSA-N
XLogP4.81
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-oxo-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)butyl]isoindole-1,3-dione
CID 108754045
N,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide
CID 108730414
1-(3,4-dimethylphenyl)-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)butane-1,4-dione
CID 108730448
3-chloro-2,2-dimethyl-1-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)propan-1-one
CID 108754007
(2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone
CID 108754025
(E)-3-(2-chlorophenyl)-1-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)prop-2-en-1-one
CID 108754055
2-(3-morpholin-4-yl-3-oxopropyl)isoindole-1,3-dione
CID 594743
2-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]isoindole-1,3-dione
CID 5083053
N-[4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-carbonyl)-2-pyridinyl]acetamide
CID 108730468
2-(3-oxo-3-spiro[chromene-2,4'-piperidine]-1'-ylpropyl)benzoic acid
CID 167949320
2-[4-(6,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-oxobutyl]isoindole-1,3-dione
CID 108758208
2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid
CID 68981311

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-3-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-oxo-3-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)propyl]isoindole-1,3-dione (CID 108754046) is 2-[3-oxo-3-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-oxo-3-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-oxo-3-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)propyl]isoindole-1,3-dione is O=C(CCN1C(=O)c2ccccc2C1=O)N1CCC2(C=Cc3cc(-c4ccccc4)ccc3O2)CC1.
What is the InChIKey of 2-[3-oxo-3-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)propyl]isoindole-1,3-dione?
The InChIKey is SARRHJOCFBIRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O4/c33-27(13-17-32-28(34)24-8-4-5-9-25(24)29(32)35)31-18-15-30(16-19-31)14-12-23-20-22(10-11-26(23)36-30)21-6-2-1-3-7-21/h1-12,14,20H,13,15-19H2.
What are the key properties of 2-[3-oxo-3-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)propyl]isoindole-1,3-dione?
2-[3-oxo-3-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)propyl]isoindole-1,3-dione has a molecular weight of 478.55 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-3-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 108754046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).