1'-(1H-imidazol-2-ylmethyl)-1-methylspiro[indole-3,3'-piperidine]-2-one

C17H20N4O — CID 56884127

IUPAC1'-(1H-imidazol-2-ylmethyl)-1-methylspiro[indole-3,3'-piperidine]-2-one
SMILESCN1C(=O)C2(CCCN(Cc3ncc[nH]3)C2)c2ccccc21
InChIInChI=1S/C17H20N4O/c1-20-14-6-3-2-5-13(14)17(16(20)22)7-4-10-21(12-17)11-15-18-8-9-19-15/h2-3,5-6,8-9H,4,7,10-12H2,1H3,(H,18,19)
InChIKeyVSHVWDBPLRXVIY-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.92
Rot. Bonds2

About 1'-(1H-imidazol-2-ylmethyl)-1-methylspiro[indole-3,3'-piperidine]-2-one

1'-(1H-imidazol-2-ylmethyl)-1-methylspiro[indole-3,3'-piperidine]-2-one (PubChem CID 56884127) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1'-(1H-imidazol-2-ylmethyl)-1-methylspiro[indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(1H-imidazol-2-ylmethyl)-1-methylspiro[indole-3,3'-piperidine]-2-one
PubChem CID56884127
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1'-(1H-imidazol-2-ylmethyl)-1-methylspiro[indole-3,3'-piperidine]-2-one
SMILESCN1C(=O)C2(CCCN(Cc3ncc[nH]3)C2)c2ccccc21
InChIInChI=1S/C17H20N4O/c1-20-14-6-3-2-5-13(14)17(16(20)22)7-4-10-21(12-17)11-15-18-8-9-19-15/h2-3,5-6,8-9H,4,7,10-12H2,1H3,(H,18,19)
InChIKeyVSHVWDBPLRXVIY-UHFFFAOYSA-N
XLogP1.92
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(1H-imidazol-2-ylmethyl)-1-methylspiro[indole-3,3'-piperidine]-2-one?
The IUPAC name of 1'-(1H-imidazol-2-ylmethyl)-1-methylspiro[indole-3,3'-piperidine]-2-one (CID 56884127) is 1'-(1H-imidazol-2-ylmethyl)-1-methylspiro[indole-3,3'-piperidine]-2-one.
What is the SMILES notation for 1'-(1H-imidazol-2-ylmethyl)-1-methylspiro[indole-3,3'-piperidine]-2-one?
The canonical SMILES for 1'-(1H-imidazol-2-ylmethyl)-1-methylspiro[indole-3,3'-piperidine]-2-one is CN1C(=O)C2(CCCN(Cc3ncc[nH]3)C2)c2ccccc21.
What is the InChIKey of 1'-(1H-imidazol-2-ylmethyl)-1-methylspiro[indole-3,3'-piperidine]-2-one?
The InChIKey is VSHVWDBPLRXVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-20-14-6-3-2-5-13(14)17(16(20)22)7-4-10-21(12-17)11-15-18-8-9-19-15/h2-3,5-6,8-9H,4,7,10-12H2,1H3,(H,18,19).
What are the key properties of 1'-(1H-imidazol-2-ylmethyl)-1-methylspiro[indole-3,3'-piperidine]-2-one?
1'-(1H-imidazol-2-ylmethyl)-1-methylspiro[indole-3,3'-piperidine]-2-one has a molecular weight of 296.37 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1H-imidazol-2-ylmethyl)-1-methylspiro[indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 56884127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).