3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)chromen-4-one

C23H21NO2 — CID 40515201

IUPAC3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)chromen-4-one
SMILESO=c1c(CN2CCC3(C=Cc4ccccc43)CC2)coc2ccccc12
InChIInChI=1S/C23H21NO2/c25-22-18(16-26-21-8-4-2-6-19(21)22)15-24-13-11-23(12-14-24)10-9-17-5-1-3-7-20(17)23/h1-10,16H,11-15H2
InChIKeyMNUWAFZQFOMHFD-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.35
Rot. Bonds2

About 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)chromen-4-one

3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)chromen-4-one (PubChem CID 40515201) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)chromen-4-one.

Molecular Properties

Compound Name3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)chromen-4-one
PubChem CID40515201
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)chromen-4-one
SMILESO=c1c(CN2CCC3(C=Cc4ccccc43)CC2)coc2ccccc12
InChIInChI=1S/C23H21NO2/c25-22-18(16-26-21-8-4-2-6-19(21)22)15-24-13-11-23(12-14-24)10-9-17-5-1-3-7-20(17)23/h1-10,16H,11-15H2
InChIKeyMNUWAFZQFOMHFD-UHFFFAOYSA-N
XLogP4.35
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)chromen-4-one?
The IUPAC name of 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)chromen-4-one (CID 40515201) is 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)chromen-4-one.
What is the SMILES notation for 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)chromen-4-one?
The canonical SMILES for 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)chromen-4-one is O=c1c(CN2CCC3(C=Cc4ccccc43)CC2)coc2ccccc12.
What is the InChIKey of 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)chromen-4-one?
The InChIKey is MNUWAFZQFOMHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c25-22-18(16-26-21-8-4-2-6-19(21)22)15-24-13-11-23(12-14-24)10-9-17-5-1-3-7-20(17)23/h1-10,16H,11-15H2.
What are the key properties of 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)chromen-4-one?
3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)chromen-4-one has a molecular weight of 343.43 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)chromen-4-one is sourced from PubChem (CID 40515201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).