N-[(1R,2R)-2-(2-methoxyethoxy)-1'-(2-thiophen-3-ylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide

C25H32N2O4S — CID 26354248

IUPACN-[(1R,2R)-2-(2-methoxyethoxy)-1'-(2-thiophen-3-ylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
SMILESCCC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)Cc3ccsc3)CC2)[C@H]1OCCOC
InChIInChI=1S/C25H32N2O4S/c1-3-21(28)26-23-19-6-4-5-7-20(19)25(24(23)31-14-13-30-2)9-11-27(12-10-25)22(29)16-18-8-15-32-17-18/h4-8,15,17,23-24H,3,9-14,16H2,1-2H3,(H,26,28)/t23-,24+/m1/s1
InChIKeyXIKZYTJKBZGBOE-RPWUZVMVSA-N
MW456.61 g/mol
LogP3.46
Rot. Bonds8

About N-[(1R,2R)-2-(2-methoxyethoxy)-1'-(2-thiophen-3-ylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide

N-[(1R,2R)-2-(2-methoxyethoxy)-1'-(2-thiophen-3-ylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide (PubChem CID 26354248) has the molecular formula C25H32N2O4S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-[(1R,2R)-2-(2-methoxyethoxy)-1'-(2-thiophen-3-ylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(2-methoxyethoxy)-1'-(2-thiophen-3-ylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
PubChem CID26354248
Molecular FormulaC25H32N2O4S
Molecular Weight456.61 g/mol
Exact Mass456.21
IUPAC NameN-[(1R,2R)-2-(2-methoxyethoxy)-1'-(2-thiophen-3-ylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
SMILESCCC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)Cc3ccsc3)CC2)[C@H]1OCCOC
InChIInChI=1S/C25H32N2O4S/c1-3-21(28)26-23-19-6-4-5-7-20(19)25(24(23)31-14-13-30-2)9-11-27(12-10-25)22(29)16-18-8-15-32-17-18/h4-8,15,17,23-24H,3,9-14,16H2,1-2H3,(H,26,28)/t23-,24+/m1/s1
InChIKeyXIKZYTJKBZGBOE-RPWUZVMVSA-N
XLogP3.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(2-methoxyethoxy)-1'-(2-thiophen-3-ylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The IUPAC name of N-[(1R,2R)-2-(2-methoxyethoxy)-1'-(2-thiophen-3-ylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide (CID 26354248) is N-[(1R,2R)-2-(2-methoxyethoxy)-1'-(2-thiophen-3-ylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide.
What is the SMILES notation for N-[(1R,2R)-2-(2-methoxyethoxy)-1'-(2-thiophen-3-ylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The canonical SMILES for N-[(1R,2R)-2-(2-methoxyethoxy)-1'-(2-thiophen-3-ylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide is CCC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)Cc3ccsc3)CC2)[C@H]1OCCOC.
What is the InChIKey of N-[(1R,2R)-2-(2-methoxyethoxy)-1'-(2-thiophen-3-ylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The InChIKey is XIKZYTJKBZGBOE-RPWUZVMVSA-N. The full InChI is InChI=1S/C25H32N2O4S/c1-3-21(28)26-23-19-6-4-5-7-20(19)25(24(23)31-14-13-30-2)9-11-27(12-10-25)22(29)16-18-8-15-32-17-18/h4-8,15,17,23-24H,3,9-14,16H2,1-2H3,(H,26,28)/t23-,24+/m1/s1.
What are the key properties of N-[(1R,2R)-2-(2-methoxyethoxy)-1'-(2-thiophen-3-ylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
N-[(1R,2R)-2-(2-methoxyethoxy)-1'-(2-thiophen-3-ylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide has a molecular weight of 456.61 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(2-methoxyethoxy)-1'-(2-thiophen-3-ylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide is sourced from PubChem (CID 26354248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).