2,4-dimethyl-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)pent-4-en-1-one

C20H26N2O — CID 126834318

IUPAC2,4-dimethyl-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)pent-4-en-1-one
SMILESC=C(C)CC(C)C(=O)N1CCC2(CC1)C(C)=Nc1ccccc12
InChIInChI=1S/C20H26N2O/c1-14(2)13-15(3)19(23)22-11-9-20(10-12-22)16(4)21-18-8-6-5-7-17(18)20/h5-8,15H,1,9-13H2,2-4H3
InChIKeyKNDKKRFMIWWWHX-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.26
Rot. Bonds3

About 2,4-dimethyl-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)pent-4-en-1-one

2,4-dimethyl-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)pent-4-en-1-one (PubChem CID 126834318) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2,4-dimethyl-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)pent-4-en-1-one.

Molecular Properties

Compound Name2,4-dimethyl-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)pent-4-en-1-one
PubChem CID126834318
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2,4-dimethyl-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)pent-4-en-1-one
SMILESC=C(C)CC(C)C(=O)N1CCC2(CC1)C(C)=Nc1ccccc12
InChIInChI=1S/C20H26N2O/c1-14(2)13-15(3)19(23)22-11-9-20(10-12-22)16(4)21-18-8-6-5-7-17(18)20/h5-8,15H,1,9-13H2,2-4H3
InChIKeyKNDKKRFMIWWWHX-UHFFFAOYSA-N
XLogP4.26
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.26
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 2,4-dimethyl-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)pent-4-en-1-one?
The IUPAC name of 2,4-dimethyl-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)pent-4-en-1-one (CID 126834318) is 2,4-dimethyl-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)pent-4-en-1-one.
What is the SMILES notation for 2,4-dimethyl-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)pent-4-en-1-one?
The canonical SMILES for 2,4-dimethyl-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)pent-4-en-1-one is C=C(C)CC(C)C(=O)N1CCC2(CC1)C(C)=Nc1ccccc12.
What is the InChIKey of 2,4-dimethyl-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)pent-4-en-1-one?
The InChIKey is KNDKKRFMIWWWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-14(2)13-15(3)19(23)22-11-9-20(10-12-22)16(4)21-18-8-6-5-7-17(18)20/h5-8,15H,1,9-13H2,2-4H3.
What are the key properties of 2,4-dimethyl-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)pent-4-en-1-one?
2,4-dimethyl-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)pent-4-en-1-one has a molecular weight of 310.44 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)pent-4-en-1-one is sourced from PubChem (CID 126834318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).