1'-[(3-propan-2-ylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]

C20H27N3 — CID 77089859

IUPAC1'-[(3-propan-2-ylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCC(C)n1cncc1CN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C20H27N3/c1-16(2)23-15-21-13-18(23)14-22-11-9-20(10-12-22)8-7-17-5-3-4-6-19(17)20/h3-6,13,15-16H,7-12,14H2,1-2H3
InChIKeyMDIDYJNWLJHPTH-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.94
Rot. Bonds3

About 1'-[(3-propan-2-ylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]

1'-[(3-propan-2-ylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine] (PubChem CID 77089859) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 1'-[(3-propan-2-ylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine].

Molecular Properties

Compound Name1'-[(3-propan-2-ylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]
PubChem CID77089859
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name1'-[(3-propan-2-ylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCC(C)n1cncc1CN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C20H27N3/c1-16(2)23-15-21-13-18(23)14-22-11-9-20(10-12-22)8-7-17-5-3-4-6-19(17)20/h3-6,13,15-16H,7-12,14H2,1-2H3
InChIKeyMDIDYJNWLJHPTH-UHFFFAOYSA-N
XLogP3.94
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[(3-propan-2-ylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]?
The IUPAC name of 1'-[(3-propan-2-ylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine] (CID 77089859) is 1'-[(3-propan-2-ylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine].
What is the SMILES notation for 1'-[(3-propan-2-ylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]?
The canonical SMILES for 1'-[(3-propan-2-ylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine] is CC(C)n1cncc1CN1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of 1'-[(3-propan-2-ylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]?
The InChIKey is MDIDYJNWLJHPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-16(2)23-15-21-13-18(23)14-22-11-9-20(10-12-22)8-7-17-5-3-4-6-19(17)20/h3-6,13,15-16H,7-12,14H2,1-2H3.
What are the key properties of 1'-[(3-propan-2-ylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]?
1'-[(3-propan-2-ylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine] has a molecular weight of 309.46 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3-propan-2-ylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine] is sourced from PubChem (CID 77089859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).