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

C23H28N2O2S — CID 97375768

IUPACN-propan-2-yl-2-[(1S)-1'-(thiophene-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21
InChIInChI=1S/C23H28N2O2S/c1-16(2)24-21(26)13-18-14-23(20-6-4-3-5-19(18)20)8-10-25(11-9-23)22(27)17-7-12-28-15-17/h3-7,12,15-16,18H,8-11,13-14H2,1-2H3,(H,24,26)/t18-/m1/s1
InChIKeyHRQKCWDZGTYGEN-GOSISDBHSA-N
MW396.56 g/mol
LogP4.32
Rot. Bonds4

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

N-propan-2-yl-2-[(1S)-1'-(thiophene-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 97375768) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-propan-2-yl-2-[(1S)-1'-(thiophene-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[(1S)-1'-(thiophene-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID97375768
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC NameN-propan-2-yl-2-[(1S)-1'-(thiophene-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21
InChIInChI=1S/C23H28N2O2S/c1-16(2)24-21(26)13-18-14-23(20-6-4-3-5-19(18)20)8-10-25(11-9-23)22(27)17-7-12-28-15-17/h3-7,12,15-16,18H,8-11,13-14H2,1-2H3,(H,24,26)/t18-/m1/s1
InChIKeyHRQKCWDZGTYGEN-GOSISDBHSA-N
XLogP4.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[(1S)-1'-(thiophene-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[(1S)-1'-(thiophene-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 97375768) is N-propan-2-yl-2-[(1S)-1'-(thiophene-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[(1S)-1'-(thiophene-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[(1S)-1'-(thiophene-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21.
What is the InChIKey of N-propan-2-yl-2-[(1S)-1'-(thiophene-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is HRQKCWDZGTYGEN-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-16(2)24-21(26)13-18-14-23(20-6-4-3-5-19(18)20)8-10-25(11-9-23)22(27)17-7-12-28-15-17/h3-7,12,15-16,18H,8-11,13-14H2,1-2H3,(H,24,26)/t18-/m1/s1.
What are the key properties of N-propan-2-yl-2-[(1S)-1'-(thiophene-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-propan-2-yl-2-[(1S)-1'-(thiophene-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 396.56 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[(1S)-1'-(thiophene-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 97375768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).