1'-(1-methoxypropyl)spiro[1H-indole-3,3'-piperidine]-2-one;hydrochloride

C16H23ClN2O2 — CID 23500751

IUPAC1'-(1-methoxypropyl)spiro[1H-indole-3,3'-piperidine]-2-one;hydrochloride
SMILESCCC(OC)N1CCCC2(C1)C(=O)Nc1ccccc12.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-3-14(20-2)18-10-6-9-16(11-18)12-7-4-5-8-13(12)17-15(16)19;/h4-5,7-8,14H,3,6,9-11H2,1-2H3,(H,17,19);1H
InChIKeyKUBCQTOFPMPFHC-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.78
Rot. Bonds3

About 1'-(1-methoxypropyl)spiro[1H-indole-3,3'-piperidine]-2-one;hydrochloride

1'-(1-methoxypropyl)spiro[1H-indole-3,3'-piperidine]-2-one;hydrochloride (PubChem CID 23500751) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 1'-(1-methoxypropyl)spiro[1H-indole-3,3'-piperidine]-2-one;hydrochloride.

Molecular Properties

Compound Name1'-(1-methoxypropyl)spiro[1H-indole-3,3'-piperidine]-2-one;hydrochloride
PubChem CID23500751
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name1'-(1-methoxypropyl)spiro[1H-indole-3,3'-piperidine]-2-one;hydrochloride
SMILESCCC(OC)N1CCCC2(C1)C(=O)Nc1ccccc12.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-3-14(20-2)18-10-6-9-16(11-18)12-7-4-5-8-13(12)17-15(16)19;/h4-5,7-8,14H,3,6,9-11H2,1-2H3,(H,17,19);1H
InChIKeyKUBCQTOFPMPFHC-UHFFFAOYSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(1-methoxypropyl)spiro[1H-indole-3,3'-piperidine]-2-one;hydrochloride?
The IUPAC name of 1'-(1-methoxypropyl)spiro[1H-indole-3,3'-piperidine]-2-one;hydrochloride (CID 23500751) is 1'-(1-methoxypropyl)spiro[1H-indole-3,3'-piperidine]-2-one;hydrochloride.
What is the SMILES notation for 1'-(1-methoxypropyl)spiro[1H-indole-3,3'-piperidine]-2-one;hydrochloride?
The canonical SMILES for 1'-(1-methoxypropyl)spiro[1H-indole-3,3'-piperidine]-2-one;hydrochloride is CCC(OC)N1CCCC2(C1)C(=O)Nc1ccccc12.Cl.
What is the InChIKey of 1'-(1-methoxypropyl)spiro[1H-indole-3,3'-piperidine]-2-one;hydrochloride?
The InChIKey is KUBCQTOFPMPFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-3-14(20-2)18-10-6-9-16(11-18)12-7-4-5-8-13(12)17-15(16)19;/h4-5,7-8,14H,3,6,9-11H2,1-2H3,(H,17,19);1H.
What are the key properties of 1'-(1-methoxypropyl)spiro[1H-indole-3,3'-piperidine]-2-one;hydrochloride?
1'-(1-methoxypropyl)spiro[1H-indole-3,3'-piperidine]-2-one;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1-methoxypropyl)spiro[1H-indole-3,3'-piperidine]-2-one;hydrochloride is sourced from PubChem (CID 23500751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).