1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C20H22N2O2 — CID 10314056

IUPAC1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc21
InChIInChI=1S/C20H22N2O2/c23-18-15-20(24-19-7-2-1-6-17(18)19)9-13-22(14-10-20)12-8-16-5-3-4-11-21-16/h1-7,11H,8-10,12-15H2
InChIKeyYFZDJBNVNRXEMA-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.12
Rot. Bonds3

About 1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 10314056) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID10314056
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc21
InChIInChI=1S/C20H22N2O2/c23-18-15-20(24-19-7-2-1-6-17(18)19)9-13-22(14-10-20)12-8-16-5-3-4-11-21-16/h1-7,11H,8-10,12-15H2
InChIKeyYFZDJBNVNRXEMA-UHFFFAOYSA-N
XLogP3.12
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 10314056) is 1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc21.
What is the InChIKey of 1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is YFZDJBNVNRXEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-18-15-20(24-19-7-2-1-6-17(18)19)9-13-22(14-10-20)12-8-16-5-3-4-11-21-16/h1-7,11H,8-10,12-15H2.
What are the key properties of 1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 322.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 10314056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).