1'-(2-methylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one

C16H22N2O — CID 10199060

IUPAC1'-(2-methylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESCC(C)CN1CCCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C16H22N2O/c1-12(2)10-18-9-5-8-16(11-18)13-6-3-4-7-14(13)17-15(16)19/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,17,19)
InChIKeyWDUWSACYIRMSRK-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.63
Rot. Bonds2

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

1'-(2-methylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one (PubChem CID 10199060) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1'-(2-methylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(2-methylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one
PubChem CID10199060
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1'-(2-methylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESCC(C)CN1CCCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C16H22N2O/c1-12(2)10-18-9-5-8-16(11-18)13-6-3-4-7-14(13)17-15(16)19/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,17,19)
InChIKeyWDUWSACYIRMSRK-UHFFFAOYSA-N
XLogP2.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-methylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The IUPAC name of 1'-(2-methylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one (CID 10199060) is 1'-(2-methylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one.
What is the SMILES notation for 1'-(2-methylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The canonical SMILES for 1'-(2-methylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one is CC(C)CN1CCCC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-(2-methylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The InChIKey is WDUWSACYIRMSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12(2)10-18-9-5-8-16(11-18)13-6-3-4-7-14(13)17-15(16)19/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,17,19).
What are the key properties of 1'-(2-methylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one?
1'-(2-methylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one has a molecular weight of 258.37 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 10199060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).