1'-(3,3-dimethylbutyl)-N,N-diethylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide

C24H38N2O — CID 71131804

IUPAC1'-(3,3-dimethylbutyl)-N,N-diethylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide
SMILESCCN(CC)C(=O)C1=CC2(CCN(CCC(C)(C)C)CC2)C2C=CC=CC12
InChIInChI=1S/C24H38N2O/c1-6-26(7-2)22(27)20-18-24(21-11-9-8-10-19(20)21)13-16-25(17-14-24)15-12-23(3,4)5/h8-11,18-19,21H,6-7,12-17H2,1-5H3
InChIKeyIUSQLGUESHNPSW-UHFFFAOYSA-N
MW370.58 g/mol
LogP4.67
Rot. Bonds5

About 1'-(3,3-dimethylbutyl)-N,N-diethylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide

1'-(3,3-dimethylbutyl)-N,N-diethylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide (PubChem CID 71131804) has the molecular formula C24H38N2O and a molecular weight of 370.58 g/mol. Its IUPAC name is 1'-(3,3-dimethylbutyl)-N,N-diethylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-(3,3-dimethylbutyl)-N,N-diethylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide
PubChem CID71131804
Molecular FormulaC24H38N2O
Molecular Weight370.58 g/mol
Exact Mass370.30
IUPAC Name1'-(3,3-dimethylbutyl)-N,N-diethylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide
SMILESCCN(CC)C(=O)C1=CC2(CCN(CCC(C)(C)C)CC2)C2C=CC=CC12
InChIInChI=1S/C24H38N2O/c1-6-26(7-2)22(27)20-18-24(21-11-9-8-10-19(20)21)13-16-25(17-14-24)15-12-23(3,4)5/h8-11,18-19,21H,6-7,12-17H2,1-5H3
InChIKeyIUSQLGUESHNPSW-UHFFFAOYSA-N
XLogP4.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.58
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(3,3-dimethylbutyl)-N,N-diethylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-(3,3-dimethylbutyl)-N,N-diethylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide (CID 71131804) is 1'-(3,3-dimethylbutyl)-N,N-diethylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-(3,3-dimethylbutyl)-N,N-diethylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-(3,3-dimethylbutyl)-N,N-diethylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide is CCN(CC)C(=O)C1=CC2(CCN(CCC(C)(C)C)CC2)C2C=CC=CC12.
What is the InChIKey of 1'-(3,3-dimethylbutyl)-N,N-diethylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide?
The InChIKey is IUSQLGUESHNPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O/c1-6-26(7-2)22(27)20-18-24(21-11-9-8-10-19(20)21)13-16-25(17-14-24)15-12-23(3,4)5/h8-11,18-19,21H,6-7,12-17H2,1-5H3.
What are the key properties of 1'-(3,3-dimethylbutyl)-N,N-diethylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide?
1'-(3,3-dimethylbutyl)-N,N-diethylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide has a molecular weight of 370.58 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3,3-dimethylbutyl)-N,N-diethylspiro[3a,7a-dihydroindene-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 71131804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).