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

C19H20N2O2 — CID 44770579

IUPAC1'-(pyridin-3-ylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(Cc3cccnc3)CC2)Oc2ccccc21
InChIInChI=1S/C19H20N2O2/c22-17-12-19(23-18-6-2-1-5-16(17)18)7-10-21(11-8-19)14-15-4-3-9-20-13-15/h1-6,9,13H,7-8,10-12,14H2
InChIKeyFFJKTEIDGHIRKU-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.08
Rot. Bonds2

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

1'-(pyridin-3-ylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 44770579) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1'-(pyridin-3-ylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(pyridin-3-ylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID44770579
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1'-(pyridin-3-ylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(Cc3cccnc3)CC2)Oc2ccccc21
InChIInChI=1S/C19H20N2O2/c22-17-12-19(23-18-6-2-1-5-16(17)18)7-10-21(11-8-19)14-15-4-3-9-20-13-15/h1-6,9,13H,7-8,10-12,14H2
InChIKeyFFJKTEIDGHIRKU-UHFFFAOYSA-N
XLogP3.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(pyridin-3-ylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(pyridin-3-ylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 44770579) is 1'-(pyridin-3-ylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(pyridin-3-ylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(pyridin-3-ylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(Cc3cccnc3)CC2)Oc2ccccc21.
What is the InChIKey of 1'-(pyridin-3-ylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is FFJKTEIDGHIRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-17-12-19(23-18-6-2-1-5-16(17)18)7-10-21(11-8-19)14-15-4-3-9-20-13-15/h1-6,9,13H,7-8,10-12,14H2.
What are the key properties of 1'-(pyridin-3-ylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(pyridin-3-ylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 308.38 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(pyridin-3-ylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 44770579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).