N-cyclopropyl-2-[(1S)-1'-(thiophene-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C23H26N2O2S — CID 97376130

IUPACN-cyclopropyl-2-[(1S)-1'-(thiophene-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESO=C(C[C@@H]1CC2(CCN(C(=O)c3cccs3)CC2)c2ccccc21)NC1CC1
InChIInChI=1S/C23H26N2O2S/c26-21(24-17-7-8-17)14-16-15-23(19-5-2-1-4-18(16)19)9-11-25(12-10-23)22(27)20-6-3-13-28-20/h1-6,13,16-17H,7-12,14-15H2,(H,24,26)/t16-/m1/s1
InChIKeyYRHUOYUARXGVAA-MRXNPFEDSA-N
MW394.54 g/mol
LogP4.08
Rot. Bonds4

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

N-cyclopropyl-2-[(1S)-1'-(thiophene-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 97376130) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-cyclopropyl-2-[(1S)-1'-(thiophene-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(1S)-1'-(thiophene-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID97376130
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC NameN-cyclopropyl-2-[(1S)-1'-(thiophene-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESO=C(C[C@@H]1CC2(CCN(C(=O)c3cccs3)CC2)c2ccccc21)NC1CC1
InChIInChI=1S/C23H26N2O2S/c26-21(24-17-7-8-17)14-16-15-23(19-5-2-1-4-18(16)19)9-11-25(12-10-23)22(27)20-6-3-13-28-20/h1-6,13,16-17H,7-12,14-15H2,(H,24,26)/t16-/m1/s1
InChIKeyYRHUOYUARXGVAA-MRXNPFEDSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
N-cyclopropyl-2-[1'-(pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131662358
N-cyclopropyl-2-[(1R)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97376126
N-cyclopropyl-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131657389
N-cyclobutyl-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131655149
1-[2-(cyclobutylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 131661630
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-[1'-(oxane-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131650515
N-cyclobutyl-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375895
N-cyclopropyl-2-[1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131662516
N-methyl-2-[1'-(thiophene-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131642110

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(1S)-1'-(thiophene-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(1S)-1'-(thiophene-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 97376130) is N-cyclopropyl-2-[(1S)-1'-(thiophene-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(1S)-1'-(thiophene-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(1S)-1'-(thiophene-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is O=C(C[C@@H]1CC2(CCN(C(=O)c3cccs3)CC2)c2ccccc21)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(1S)-1'-(thiophene-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is YRHUOYUARXGVAA-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26N2O2S/c26-21(24-17-7-8-17)14-16-15-23(19-5-2-1-4-18(16)19)9-11-25(12-10-23)22(27)20-6-3-13-28-20/h1-6,13,16-17H,7-12,14-15H2,(H,24,26)/t16-/m1/s1.
What are the key properties of N-cyclopropyl-2-[(1S)-1'-(thiophene-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-cyclopropyl-2-[(1S)-1'-(thiophene-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 394.54 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(1S)-1'-(thiophene-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 97376130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).