cyclobutyl-[2'-(1-phenylethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]methanone

C25H30N2O — CID 154444053

IUPACcyclobutyl-[2'-(1-phenylethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]methanone
SMILESCC(c1ccccc1)C1CC2(CCN1C(=O)C1CCC1)CNc1ccccc12
InChIInChI=1S/C25H30N2O/c1-18(19-8-3-2-4-9-19)23-16-25(17-26-22-13-6-5-12-21(22)25)14-15-27(23)24(28)20-10-7-11-20/h2-6,8-9,12-13,18,20,23,26H,7,10-11,14-17H2,1H3
InChIKeyNTRVJJSDMPJKTR-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.94
Rot. Bonds3

About cyclobutyl-[2'-(1-phenylethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]methanone

cyclobutyl-[2'-(1-phenylethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]methanone (PubChem CID 154444053) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is cyclobutyl-[2'-(1-phenylethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2'-(1-phenylethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]methanone
PubChem CID154444053
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Namecyclobutyl-[2'-(1-phenylethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]methanone
SMILESCC(c1ccccc1)C1CC2(CCN1C(=O)C1CCC1)CNc1ccccc12
InChIInChI=1S/C25H30N2O/c1-18(19-8-3-2-4-9-19)23-16-25(17-26-22-13-6-5-12-21(22)25)14-15-27(23)24(28)20-10-7-11-20/h2-6,8-9,12-13,18,20,23,26H,7,10-11,14-17H2,1H3
InChIKeyNTRVJJSDMPJKTR-UHFFFAOYSA-N
XLogP4.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2'-(1-phenylethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]methanone?
The IUPAC name of cyclobutyl-[2'-(1-phenylethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]methanone (CID 154444053) is cyclobutyl-[2'-(1-phenylethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]methanone.
What is the SMILES notation for cyclobutyl-[2'-(1-phenylethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]methanone?
The canonical SMILES for cyclobutyl-[2'-(1-phenylethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]methanone is CC(c1ccccc1)C1CC2(CCN1C(=O)C1CCC1)CNc1ccccc12.
What is the InChIKey of cyclobutyl-[2'-(1-phenylethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]methanone?
The InChIKey is NTRVJJSDMPJKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-18(19-8-3-2-4-9-19)23-16-25(17-26-22-13-6-5-12-21(22)25)14-15-27(23)24(28)20-10-7-11-20/h2-6,8-9,12-13,18,20,23,26H,7,10-11,14-17H2,1H3.
What are the key properties of cyclobutyl-[2'-(1-phenylethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]methanone?
cyclobutyl-[2'-(1-phenylethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]methanone has a molecular weight of 374.53 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2'-(1-phenylethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]methanone is sourced from PubChem (CID 154444053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).