1-[2-(cyclobutylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide

C22H31N3O2 — CID 131661630

IUPAC1-[2-(cyclobutylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
SMILESCN(C)C(=O)N1CCC2(CC1)CC(CC(=O)NC1CCC1)c1ccccc12
InChIInChI=1S/C22H31N3O2/c1-24(2)21(27)25-12-10-22(11-13-25)15-16(18-8-3-4-9-19(18)22)14-20(26)23-17-6-5-7-17/h3-4,8-9,16-17H,5-7,10-15H2,1-2H3,(H,23,26)
InChIKeyHOALMBLWLBAYAF-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.25
Rot. Bonds3

About 1-[2-(cyclobutylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide

1-[2-(cyclobutylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide (PubChem CID 131661630) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-[2-(cyclobutylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclobutylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
PubChem CID131661630
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name1-[2-(cyclobutylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
SMILESCN(C)C(=O)N1CCC2(CC1)CC(CC(=O)NC1CCC1)c1ccccc12
InChIInChI=1S/C22H31N3O2/c1-24(2)21(27)25-12-10-22(11-13-25)15-16(18-8-3-4-9-19(18)22)14-20(26)23-17-6-5-7-17/h3-4,8-9,16-17H,5-7,10-15H2,1-2H3,(H,23,26)
InChIKeyHOALMBLWLBAYAF-UHFFFAOYSA-N
XLogP3.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 97376139
(1R)-N,N-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 97375787
N-cyclobutyl-2-[1'-(oxane-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131650515
N-cyclobutyl-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131655149
N-cyclobutyl-2-[(1R)-1'-(2-methylfuran-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375898
N-cyclobutyl-2-[(1S)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375907
N-cyclobutyl-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375895
N-cyclobutyl-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375886
2-[(1S)-1'-acetylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
CID 97400614
N-cyclobutyl-2-[(1R)-1'-(oxan-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375917
2-[1'-(2-cyclopentylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide
CID 131655151
N-cyclobutyl-2-[(1S)-1'-(pyridin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375892

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclobutylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of 1-[2-(cyclobutylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide (CID 131661630) is 1-[2-(cyclobutylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 1-[2-(cyclobutylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 1-[2-(cyclobutylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide is CN(C)C(=O)N1CCC2(CC1)CC(CC(=O)NC1CCC1)c1ccccc12.
What is the InChIKey of 1-[2-(cyclobutylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide?
The InChIKey is HOALMBLWLBAYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-24(2)21(27)25-12-10-22(11-13-25)15-16(18-8-3-4-9-19(18)22)14-20(26)23-17-6-5-7-17/h3-4,8-9,16-17H,5-7,10-15H2,1-2H3,(H,23,26).
What are the key properties of 1-[2-(cyclobutylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide?
1-[2-(cyclobutylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclobutylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 131661630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).