benzyl 4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-1-carboxylate;ethane

C29H41N3O3 — CID 91597333

IUPACbenzyl 4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-1-carboxylate;ethane
SMILESCC.O=C(OCc1ccccc1)N1CCC(C(O)CN2CCC3(CC2)CNc2ccccc23)CC1
InChIInChI=1S/C27H35N3O3.C2H6/c31-25(18-29-16-12-27(13-17-29)20-28-24-9-5-4-8-23(24)27)22-10-14-30(15-11-22)26(32)33-19-21-6-2-1-3-7-21;1-2/h1-9,22,25,28,31H,10-20H2;1-2H3
InChIKeyYDNFOKRUXFSXGN-UHFFFAOYSA-N
MW479.67 g/mol
LogP4.88
Rot. Bonds5

About benzyl 4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-1-carboxylate;ethane

benzyl 4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-1-carboxylate;ethane (PubChem CID 91597333) has the molecular formula C29H41N3O3 and a molecular weight of 479.67 g/mol. Its IUPAC name is benzyl 4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-1-carboxylate;ethane.

Molecular Properties

Compound Namebenzyl 4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-1-carboxylate;ethane
PubChem CID91597333
Molecular FormulaC29H41N3O3
Molecular Weight479.67 g/mol
Exact Mass479.31
IUPAC Namebenzyl 4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-1-carboxylate;ethane
SMILESCC.O=C(OCc1ccccc1)N1CCC(C(O)CN2CCC3(CC2)CNc2ccccc23)CC1
InChIInChI=1S/C27H35N3O3.C2H6/c31-25(18-29-16-12-27(13-17-29)20-28-24-9-5-4-8-23(24)27)22-10-14-30(15-11-22)26(32)33-19-21-6-2-1-3-7-21;1-2/h1-9,22,25,28,31H,10-20H2;1-2H3
InChIKeyYDNFOKRUXFSXGN-UHFFFAOYSA-N
XLogP4.88
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.67
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze benzyl 4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-1-carboxylate;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-1-carboxylate;ethane?
The IUPAC name of benzyl 4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-1-carboxylate;ethane (CID 91597333) is benzyl 4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-1-carboxylate;ethane.
What is the SMILES notation for benzyl 4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-1-carboxylate;ethane?
The canonical SMILES for benzyl 4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-1-carboxylate;ethane is CC.O=C(OCc1ccccc1)N1CCC(C(O)CN2CCC3(CC2)CNc2ccccc23)CC1.
What is the InChIKey of benzyl 4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-1-carboxylate;ethane?
The InChIKey is YDNFOKRUXFSXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3.C2H6/c31-25(18-29-16-12-27(13-17-29)20-28-24-9-5-4-8-23(24)27)22-10-14-30(15-11-22)26(32)33-19-21-6-2-1-3-7-21;1-2/h1-9,22,25,28,31H,10-20H2;1-2H3.
What are the key properties of benzyl 4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-1-carboxylate;ethane?
benzyl 4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-1-carboxylate;ethane has a molecular weight of 479.67 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-1-carboxylate;ethane is sourced from PubChem (CID 91597333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).