1'-propylspiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one;hydrochloride

C16H23ClN2O — CID 23500757

IUPAC1'-propylspiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one;hydrochloride
SMILESCCCN1CCCC2(Cc3ccccc3NC2=O)C1.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-2-9-18-10-5-8-16(12-18)11-13-6-3-4-7-14(13)17-15(16)19;/h3-4,6-7H,2,5,8-12H2,1H3,(H,17,19);1H
InChIKeyJEXDIEIUOVWBFS-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.10
Rot. Bonds2

About 1'-propylspiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one;hydrochloride

1'-propylspiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one;hydrochloride (PubChem CID 23500757) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1'-propylspiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one;hydrochloride.

Molecular Properties

Compound Name1'-propylspiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one;hydrochloride
PubChem CID23500757
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1'-propylspiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one;hydrochloride
SMILESCCCN1CCCC2(Cc3ccccc3NC2=O)C1.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-2-9-18-10-5-8-16(12-18)11-13-6-3-4-7-14(13)17-15(16)19;/h3-4,6-7H,2,5,8-12H2,1H3,(H,17,19);1H
InChIKeyJEXDIEIUOVWBFS-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-propylspiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one;hydrochloride?
The IUPAC name of 1'-propylspiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one;hydrochloride (CID 23500757) is 1'-propylspiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one;hydrochloride.
What is the SMILES notation for 1'-propylspiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one;hydrochloride?
The canonical SMILES for 1'-propylspiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one;hydrochloride is CCCN1CCCC2(Cc3ccccc3NC2=O)C1.Cl.
What is the InChIKey of 1'-propylspiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one;hydrochloride?
The InChIKey is JEXDIEIUOVWBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c1-2-9-18-10-5-8-16(12-18)11-13-6-3-4-7-14(13)17-15(16)19;/h3-4,6-7H,2,5,8-12H2,1H3,(H,17,19);1H.
What are the key properties of 1'-propylspiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one;hydrochloride?
1'-propylspiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propylspiro[1,4-dihydroquinoline-3,3'-piperidine]-2-one;hydrochloride is sourced from PubChem (CID 23500757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).