1'-[(1-methylpyrazol-4-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one

C17H20N4O — CID 118742807

IUPAC1'-[(1-methylpyrazol-4-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCn1cc(CN2CCC3(CC2)C(=O)Nc2ccccc23)cn1
InChIInChI=1S/C17H20N4O/c1-20-11-13(10-18-20)12-21-8-6-17(7-9-21)14-4-2-3-5-15(14)19-16(17)22/h2-5,10-11H,6-9,12H2,1H3,(H,19,22)
InChIKeyJWMWRNFNLGFFQZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.91
Rot. Bonds2

About 1'-[(1-methylpyrazol-4-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one

1'-[(1-methylpyrazol-4-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 118742807) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1'-[(1-methylpyrazol-4-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(1-methylpyrazol-4-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID118742807
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1'-[(1-methylpyrazol-4-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCn1cc(CN2CCC3(CC2)C(=O)Nc2ccccc23)cn1
InChIInChI=1S/C17H20N4O/c1-20-11-13(10-18-20)12-21-8-6-17(7-9-21)14-4-2-3-5-15(14)19-16(17)22/h2-5,10-11H,6-9,12H2,1H3,(H,19,22)
InChIKeyJWMWRNFNLGFFQZ-UHFFFAOYSA-N
XLogP1.91
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[(1-methylpyrazol-4-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(1-methylpyrazol-4-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 118742807) is 1'-[(1-methylpyrazol-4-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(1-methylpyrazol-4-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(1-methylpyrazol-4-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one is Cn1cc(CN2CCC3(CC2)C(=O)Nc2ccccc23)cn1.
What is the InChIKey of 1'-[(1-methylpyrazol-4-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is JWMWRNFNLGFFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-20-11-13(10-18-20)12-21-8-6-17(7-9-21)14-4-2-3-5-15(14)19-16(17)22/h2-5,10-11H,6-9,12H2,1H3,(H,19,22).
What are the key properties of 1'-[(1-methylpyrazol-4-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one?
1'-[(1-methylpyrazol-4-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 296.37 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1-methylpyrazol-4-yl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 118742807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).