[1-(furan-2-ylmethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyrrolidin-1-ylmethanone

C23H29N3O2 — CID 131662640

IUPAC[1-(furan-2-ylmethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCC2(CC1)CC(NCc1ccco1)c1ccccc12
InChIInChI=1S/C23H29N3O2/c27-22(25-11-3-4-12-25)26-13-9-23(10-14-26)16-21(19-7-1-2-8-20(19)23)24-17-18-6-5-15-28-18/h1-2,5-8,15,21,24H,3-4,9-14,16-17H2
InChIKeyVDVDTUPDFABLEO-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.06
Rot. Bonds3

About [1-(furan-2-ylmethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyrrolidin-1-ylmethanone

[1-(furan-2-ylmethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyrrolidin-1-ylmethanone (PubChem CID 131662640) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is [1-(furan-2-ylmethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(furan-2-ylmethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyrrolidin-1-ylmethanone
PubChem CID131662640
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name[1-(furan-2-ylmethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCC2(CC1)CC(NCc1ccco1)c1ccccc12
InChIInChI=1S/C23H29N3O2/c27-22(25-11-3-4-12-25)26-13-9-23(10-14-26)16-21(19-7-1-2-8-20(19)23)24-17-18-6-5-15-28-18/h1-2,5-8,15,21,24H,3-4,9-14,16-17H2
InChIKeyVDVDTUPDFABLEO-UHFFFAOYSA-N
XLogP4.06
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(furan-2-ylmethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyrrolidin-1-ylmethanone (CID 131662640) is [1-(furan-2-ylmethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(furan-2-ylmethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(furan-2-ylmethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCC2(CC1)CC(NCc1ccco1)c1ccccc12.
What is the InChIKey of [1-(furan-2-ylmethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VDVDTUPDFABLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-22(25-11-3-4-12-25)26-13-9-23(10-14-26)16-21(19-7-1-2-8-20(19)23)24-17-18-6-5-15-28-18/h1-2,5-8,15,21,24H,3-4,9-14,16-17H2.
What are the key properties of [1-(furan-2-ylmethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyrrolidin-1-ylmethanone?
[1-(furan-2-ylmethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 379.50 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 131662640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).