[4-(1-hydroxy-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]-(1-methylcyclopropyl)methanone

C25H36N2O2 — CID 154819244

IUPAC[4-(1-hydroxy-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCC(C(O)CN3CCC4(CCc5ccccc54)CC3)CC2)CC1
InChIInChI=1S/C25H36N2O2/c1-24(10-11-24)23(29)27-14-7-20(8-15-27)22(28)18-26-16-12-25(13-17-26)9-6-19-4-2-3-5-21(19)25/h2-5,20,22,28H,6-18H2,1H3
InChIKeyVRHOMNPZTGLBIQ-UHFFFAOYSA-N
MW396.58 g/mol
LogP3.37
Rot. Bonds4

About [4-(1-hydroxy-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]-(1-methylcyclopropyl)methanone

[4-(1-hydroxy-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]-(1-methylcyclopropyl)methanone (PubChem CID 154819244) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is [4-(1-hydroxy-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(1-hydroxy-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]-(1-methylcyclopropyl)methanone
PubChem CID154819244
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Name[4-(1-hydroxy-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCC(C(O)CN3CCC4(CCc5ccccc54)CC3)CC2)CC1
InChIInChI=1S/C25H36N2O2/c1-24(10-11-24)23(29)27-14-7-20(8-15-27)22(28)18-26-16-12-25(13-17-26)9-6-19-4-2-3-5-21(19)25/h2-5,20,22,28H,6-18H2,1H3
InChIKeyVRHOMNPZTGLBIQ-UHFFFAOYSA-N
XLogP3.37
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-fluorophenyl)-1-[4-(1-hydroxy-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]prop-2-en-1-one
CID 76739706
N-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(1-hydroxy-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)piperidine-1-carboxamide
CID 58280338
(2S)-1-phenoxy-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-ol
CID 141082836
benzyl 4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-1-carboxylate;ethane
CID 91597333
1'-[(2S)-2-[(1R)-cyclopent-2-en-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]
CID 70959400
[1-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl] 2,2,2-trifluoroacetate
CID 67159984
2,2-diphenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)acetamide
CID 58685219
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084
(E)-3-(3,5-difluorophenyl)-1-[4-[1-hydroxy-2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethyl]piperidin-1-yl]prop-2-en-1-one
CID 59305233
2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone
CID 166613892
2-(4,4-dimethylpiperidin-1-yl)-1-(1-methylpiperidin-4-yl)ethanol
CID 76828432
(4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 110921317

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxy-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The IUPAC name of [4-(1-hydroxy-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]-(1-methylcyclopropyl)methanone (CID 154819244) is [4-(1-hydroxy-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]-(1-methylcyclopropyl)methanone.
What is the SMILES notation for [4-(1-hydroxy-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The canonical SMILES for [4-(1-hydroxy-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]-(1-methylcyclopropyl)methanone is CC1(C(=O)N2CCC(C(O)CN3CCC4(CCc5ccccc54)CC3)CC2)CC1.
What is the InChIKey of [4-(1-hydroxy-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The InChIKey is VRHOMNPZTGLBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-24(10-11-24)23(29)27-14-7-20(8-15-27)22(28)18-26-16-12-25(13-17-26)9-6-19-4-2-3-5-21(19)25/h2-5,20,22,28H,6-18H2,1H3.
What are the key properties of [4-(1-hydroxy-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]-(1-methylcyclopropyl)methanone?
[4-(1-hydroxy-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]-(1-methylcyclopropyl)methanone has a molecular weight of 396.58 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxy-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 154819244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).