1'-benzylspiro[3H-chromene-2,4'-piperidine]-4-one

C20H21NO2 — CID 2427316

IUPAC1'-benzylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(Cc3ccccc3)CC2)Oc2ccccc21
InChIInChI=1S/C20H21NO2/c22-18-14-20(23-19-9-5-4-8-17(18)19)10-12-21(13-11-20)15-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyVYTXCPHULMDKCP-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.69
Rot. Bonds2

About 1'-benzylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-benzylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 2427316) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1'-benzylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-benzylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID2427316
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name1'-benzylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(Cc3ccccc3)CC2)Oc2ccccc21
InChIInChI=1S/C20H21NO2/c22-18-14-20(23-19-9-5-4-8-17(18)19)10-12-21(13-11-20)15-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyVYTXCPHULMDKCP-UHFFFAOYSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-benzylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 2427316) is 1'-benzylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-benzylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-benzylspiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(Cc3ccccc3)CC2)Oc2ccccc21.
What is the InChIKey of 1'-benzylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is VYTXCPHULMDKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c22-18-14-20(23-19-9-5-4-8-17(18)19)10-12-21(13-11-20)15-16-6-2-1-3-7-16/h1-9H,10-15H2.
What are the key properties of 1'-benzylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-benzylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 307.39 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 2427316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).