1-pyrrolidin-1-yl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylethanone

C19H26N2O — CID 121229522

IUPAC1-pyrrolidin-1-yl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylethanone
SMILESO=C(CC1CC2(CCNCC2)c2ccccc21)N1CCCC1
InChIInChI=1S/C19H26N2O/c22-18(21-11-3-4-12-21)13-15-14-19(7-9-20-10-8-19)17-6-2-1-5-16(15)17/h1-2,5-6,15,20H,3-4,7-14H2
InChIKeyJTGPMFMEAKUQFU-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.81
Rot. Bonds2

About 1-pyrrolidin-1-yl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylethanone

1-pyrrolidin-1-yl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylethanone (PubChem CID 121229522) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylethanone
PubChem CID121229522
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-pyrrolidin-1-yl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylethanone
SMILESO=C(CC1CC2(CCNCC2)c2ccccc21)N1CCCC1
InChIInChI=1S/C19H26N2O/c22-18(21-11-3-4-12-21)13-15-14-19(7-9-20-10-8-19)17-6-2-1-5-16(15)17/h1-2,5-6,15,20H,3-4,7-14H2
InChIKeyJTGPMFMEAKUQFU-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylethanone (CID 121229522) is 1-pyrrolidin-1-yl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylethanone is O=C(CC1CC2(CCNCC2)c2ccccc21)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylethanone?
The InChIKey is JTGPMFMEAKUQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c22-18(21-11-3-4-12-21)13-15-14-19(7-9-20-10-8-19)17-6-2-1-5-16(15)17/h1-2,5-6,15,20H,3-4,7-14H2.
What are the key properties of 1-pyrrolidin-1-yl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylethanone?
1-pyrrolidin-1-yl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylethanone has a molecular weight of 298.43 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylethanone is sourced from PubChem (CID 121229522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).