N-cyclobutyl-2-[(1R)-1'-(2-methylfuran-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C25H30N2O3 — CID 97375898

IUPACN-cyclobutyl-2-[(1R)-1'-(2-methylfuran-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCc1occc1C(=O)N1CCC2(CC1)C[C@H](CC(=O)NC1CCC1)c1ccccc12
InChIInChI=1S/C25H30N2O3/c1-17-20(9-14-30-17)24(29)27-12-10-25(11-13-27)16-18(21-7-2-3-8-22(21)25)15-23(28)26-19-5-4-6-19/h2-3,7-9,14,18-19H,4-6,10-13,15-16H2,1H3,(H,26,28)/t18-/m0/s1
InChIKeyPVAFSBCJWCFETB-SFHVURJKSA-N
MW406.53 g/mol
LogP4.31
Rot. Bonds4

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

N-cyclobutyl-2-[(1R)-1'-(2-methylfuran-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 97375898) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-cyclobutyl-2-[(1R)-1'-(2-methylfuran-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclobutyl-2-[(1R)-1'-(2-methylfuran-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID97375898
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC NameN-cyclobutyl-2-[(1R)-1'-(2-methylfuran-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCc1occc1C(=O)N1CCC2(CC1)C[C@H](CC(=O)NC1CCC1)c1ccccc12
InChIInChI=1S/C25H30N2O3/c1-17-20(9-14-30-17)24(29)27-12-10-25(11-13-27)16-18(21-7-2-3-8-22(21)25)15-23(28)26-19-5-4-6-19/h2-3,7-9,14,18-19H,4-6,10-13,15-16H2,1H3,(H,26,28)/t18-/m0/s1
InChIKeyPVAFSBCJWCFETB-SFHVURJKSA-N
XLogP4.31
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[1'-(2-methylfuran-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131644637
N-cyclobutyl-2-[(1S)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375907
1-[2-(cyclobutylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 131661630
N-cyclobutyl-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131655149
N-cyclobutyl-2-[1'-(oxane-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131650515
N-cyclopropyl-2-[(1R)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97376126
(1S)-1-[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 97376139
N-cyclopropyl-2-[(1S)-1'-(thiophene-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97376130
N-methyl-2-[1'-(2-methylfuran-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131662944
N-cyclobutyl-2-[(1R)-1'-(oxan-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375917
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

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[(1R)-1'-(2-methylfuran-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-cyclobutyl-2-[(1R)-1'-(2-methylfuran-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 97375898) is N-cyclobutyl-2-[(1R)-1'-(2-methylfuran-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-cyclobutyl-2-[(1R)-1'-(2-methylfuran-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-cyclobutyl-2-[(1R)-1'-(2-methylfuran-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is Cc1occc1C(=O)N1CCC2(CC1)C[C@H](CC(=O)NC1CCC1)c1ccccc12.
What is the InChIKey of N-cyclobutyl-2-[(1R)-1'-(2-methylfuran-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is PVAFSBCJWCFETB-SFHVURJKSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-17-20(9-14-30-17)24(29)27-12-10-25(11-13-27)16-18(21-7-2-3-8-22(21)25)15-23(28)26-19-5-4-6-19/h2-3,7-9,14,18-19H,4-6,10-13,15-16H2,1H3,(H,26,28)/t18-/m0/s1.
What are the key properties of N-cyclobutyl-2-[(1R)-1'-(2-methylfuran-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-cyclobutyl-2-[(1R)-1'-(2-methylfuran-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 406.53 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[(1R)-1'-(2-methylfuran-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 97375898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).