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

C20H23ClN2O2 — CID 19045287

IUPAC1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
SMILESCl.O=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc21
InChIInChI=1S/C20H22N2O2.ClH/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;1H
InChIKeyKWZCAHNATLSLPA-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.55
Rot. Bonds3

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

1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride (PubChem CID 19045287) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride.

Molecular Properties

Compound Name1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
PubChem CID19045287
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
SMILESCl.O=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc21
InChIInChI=1S/C20H22N2O2.ClH/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;1H
InChIKeyKWZCAHNATLSLPA-UHFFFAOYSA-N
XLogP3.55
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.55
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;hydrochloride?
The IUPAC name of 1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride (CID 19045287) is 1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride.
What is the SMILES notation for 1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride?
The canonical SMILES for 1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride is Cl.O=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc21.
What is the InChIKey of 1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride?
The InChIKey is KWZCAHNATLSLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2.ClH/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;1H.
What are the key properties of 1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride?
1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 3.55, 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;hydrochloride is sourced from PubChem (CID 19045287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).