N-cyclobutyl-2-[(1S)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C26H31N3O2 — CID 97375907

IUPACN-cyclobutyl-2-[(1S)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCc1cccc(C(=O)N2CCC3(CC2)C[C@@H](CC(=O)NC2CCC2)c2ccccc23)n1
InChIInChI=1S/C26H31N3O2/c1-18-6-4-11-23(27-18)25(31)29-14-12-26(13-15-29)17-19(21-9-2-3-10-22(21)26)16-24(30)28-20-7-5-8-20/h2-4,6,9-11,19-20H,5,7-8,12-17H2,1H3,(H,28,30)/t19-/m1/s1
InChIKeyIIXUJITXXDPWKQ-LJQANCHMSA-N
MW417.55 g/mol
LogP4.11
Rot. Bonds4

About N-cyclobutyl-2-[(1S)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

N-cyclobutyl-2-[(1S)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 97375907) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-cyclobutyl-2-[(1S)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclobutyl-2-[(1S)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID97375907
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC NameN-cyclobutyl-2-[(1S)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCc1cccc(C(=O)N2CCC3(CC2)C[C@@H](CC(=O)NC2CCC2)c2ccccc23)n1
InChIInChI=1S/C26H31N3O2/c1-18-6-4-11-23(27-18)25(31)29-14-12-26(13-15-29)17-19(21-9-2-3-10-22(21)26)16-24(30)28-20-7-5-8-20/h2-4,6,9-11,19-20H,5,7-8,12-17H2,1H3,(H,28,30)/t19-/m1/s1
InChIKeyIIXUJITXXDPWKQ-LJQANCHMSA-N
XLogP4.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[(1R)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97376126
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
1-[2-(cyclobutylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 131661630
(1S)-1-[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 97376139
N-cyclobutyl-2-[1'-(oxane-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131650515
N-cyclopropyl-2-[1'-(pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131662358
N-cyclobutyl-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375895
N-cyclopropyl-2-[(1S)-1'-(thiophene-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97376130
N-cyclobutyl-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375886
N-cyclopropyl-2-[1'-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133137739
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 N-cyclobutyl-2-[(1S)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-cyclobutyl-2-[(1S)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 97375907) is N-cyclobutyl-2-[(1S)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-cyclobutyl-2-[(1S)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-cyclobutyl-2-[(1S)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is Cc1cccc(C(=O)N2CCC3(CC2)C[C@@H](CC(=O)NC2CCC2)c2ccccc23)n1.
What is the InChIKey of N-cyclobutyl-2-[(1S)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is IIXUJITXXDPWKQ-LJQANCHMSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-18-6-4-11-23(27-18)25(31)29-14-12-26(13-15-29)17-19(21-9-2-3-10-22(21)26)16-24(30)28-20-7-5-8-20/h2-4,6,9-11,19-20H,5,7-8,12-17H2,1H3,(H,28,30)/t19-/m1/s1.
What are the key properties of N-cyclobutyl-2-[(1S)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-cyclobutyl-2-[(1S)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 417.55 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[(1S)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 97375907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).