cyclohexyl-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone

C22H30N2O — CID 11151925

IUPACcyclohexyl-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
SMILESC=CCN1CCC2(CC1)CN(C(=O)C1CCCCC1)c1ccccc12
InChIInChI=1S/C22H30N2O/c1-2-14-23-15-12-22(13-16-23)17-24(20-11-7-6-10-19(20)22)21(25)18-8-4-3-5-9-18/h2,6-7,10-11,18H,1,3-5,8-9,12-17H2
InChIKeyXLPHOXAKRDHXMS-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.13
Rot. Bonds3

About cyclohexyl-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone

cyclohexyl-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone (PubChem CID 11151925) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is cyclohexyl-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
PubChem CID11151925
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Namecyclohexyl-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
SMILESC=CCN1CCC2(CC1)CN(C(=O)C1CCCCC1)c1ccccc12
InChIInChI=1S/C22H30N2O/c1-2-14-23-15-12-22(13-16-23)17-24(20-11-7-6-10-19(20)22)21(25)18-8-4-3-5-9-18/h2,6-7,10-11,18H,1,3-5,8-9,12-17H2
InChIKeyXLPHOXAKRDHXMS-UHFFFAOYSA-N
XLogP4.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The IUPAC name of cyclohexyl-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone (CID 11151925) is cyclohexyl-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The canonical SMILES for cyclohexyl-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone is C=CCN1CCC2(CC1)CN(C(=O)C1CCCCC1)c1ccccc12.
What is the InChIKey of cyclohexyl-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The InChIKey is XLPHOXAKRDHXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-2-14-23-15-12-22(13-16-23)17-24(20-11-7-6-10-19(20)22)21(25)18-8-4-3-5-9-18/h2,6-7,10-11,18H,1,3-5,8-9,12-17H2.
What are the key properties of cyclohexyl-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
cyclohexyl-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone has a molecular weight of 338.50 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone is sourced from PubChem (CID 11151925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).