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

C21H35N3O3 — CID 90727595

IUPACethane;4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-3,4-diol
SMILESCC.OC1CNCCC1(O)C(O)CN1CCC2(CC1)CNc1ccccc12
InChIInChI=1S/C19H29N3O3.C2H6/c23-16-11-20-8-5-19(16,25)17(24)12-22-9-6-18(7-10-22)13-21-15-4-2-1-3-14(15)18;1-2/h1-4,16-17,20-21,23-25H,5-13H2;1-2H3
InChIKeyGTJRYXRUHKSHJD-UHFFFAOYSA-N
MW377.53 g/mol
LogP0.92
Rot. Bonds3

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

ethane;4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-3,4-diol (PubChem CID 90727595) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is ethane;4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-3,4-diol.

Molecular Properties

Compound Nameethane;4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-3,4-diol
PubChem CID90727595
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Nameethane;4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-3,4-diol
SMILESCC.OC1CNCCC1(O)C(O)CN1CCC2(CC1)CNc1ccccc12
InChIInChI=1S/C19H29N3O3.C2H6/c23-16-11-20-8-5-19(16,25)17(24)12-22-9-6-18(7-10-22)13-21-15-4-2-1-3-14(15)18;1-2/h1-4,16-17,20-21,23-25H,5-13H2;1-2H3
InChIKeyGTJRYXRUHKSHJD-UHFFFAOYSA-N
XLogP0.92
TPSA87.99 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 50.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-1-[(3R,4S)-4-[(1R)-2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-1-hydroxyethyl]-3,4-dihydroxypiperidin-1-yl]-3-(3,5-difluorophenyl)prop-2-en-1-one
CID 87211219
benzyl 4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-1-carboxylate;ethane
CID 91597333
ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 143386492
2-methoxy-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 166286568
ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 123637985
benzyl 4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-1-carboxylate;ethane;(E)-3-phenylprop-2-enoic acid;1-piperidin-4-yl-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanol
CID 123866043
(E)-3-(3-bromo-4-fluorophenyl)-1-[4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]prop-2-en-1-one
CID 59305208
N-cyclopropyl-3-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpropanamide
CID 166283639
(2R)-2-hydroxy-4-methylsulfanyl-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylbutan-1-one
CID 99931971
1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]spiro[1,2-dihydroindole-3,4'-piperidine]
CID 141080073
pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 67667343
4-[2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)ethyl]piperidin-4-ol
CID 90807270

Frequently Asked Questions

What is the IUPAC name of ethane;4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-3,4-diol?
The IUPAC name of ethane;4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-3,4-diol (CID 90727595) is ethane;4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-3,4-diol.
What is the SMILES notation for ethane;4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-3,4-diol?
The canonical SMILES for ethane;4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-3,4-diol is CC.OC1CNCCC1(O)C(O)CN1CCC2(CC1)CNc1ccccc12.
What is the InChIKey of ethane;4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-3,4-diol?
The InChIKey is GTJRYXRUHKSHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.C2H6/c23-16-11-20-8-5-19(16,25)17(24)12-22-9-6-18(7-10-22)13-21-15-4-2-1-3-14(15)18;1-2/h1-4,16-17,20-21,23-25H,5-13H2;1-2H3.
What are the key properties of ethane;4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-3,4-diol?
ethane;4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-3,4-diol has a molecular weight of 377.53 g/mol, XLogP of 0.92, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-3,4-diol is sourced from PubChem (CID 90727595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).