4-benzyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-benzyl-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4,9-dibenzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-(3-fluorophenyl)-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;9-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C111H132FN13O9 — CID 158427996

IUPAC4-benzyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-benzyl-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4,9-dibenzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-(3-fluorophenyl)-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;9-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CCC2(CC1)CN(Cc1ccccc1)CCO2.O=C1COC2(CCN(CCc3c[nH]c4ccccc34)CC2)CN1Cc1ccccc1.O=C1COC2(CCN(CCc3c[nH]c4ccccc34)CC2)CN1c1cccc(F)c1.O=C1COC2(CCN(CCc3c[nH]c4ccccc34)CC2)CN1c1ccccc1.O=C1COC2(CCN(Cc3ccccc3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C25H29N3O2.C24H26FN3O2.C24H27N3O2.C22H26N2O2.C16H24N2O/c29-24-18-30-25(19-28(24)17-20-6-2-1-3-7-20)11-14-27(15-12-25)13-10-21-16-26-23-9-5-4-8-22(21)23;25-19-4-3-5-20(14-19)28-17-24(30-16-23(28)29)9-12-27(13-10-24)11-8-18-15-26-22-7-2-1-6-21(18)22;28-23-17-29-24(18-27(23)20-6-2-1-3-7-20)11-14-26(15-12-24)13-10-19-16-25-22-9-5-4-8-21(19)22;25-21-17-26-22(18-24(21)16-20-9-5-2-6-10-20)11-13-23(14-12-22)15-19-7-3-1-4-8-19;1-17-9-7-16(8-10-17)14-18(11-12-19-16)13-15-5-3-2-4-6-15/h1-9,16,26H,10-15,17-19H2;1-7,14-15,26H,8-13,16-17H2;1-9,16,25H,10-15,17-18H2;1-10H,11-18H2;2-6H,7-14H2,1H3
InChIKeyHBHIEAPQINQSSN-UHFFFAOYSA-N
MW1811.36 g/mol
LogP16.02
Rot. Bonds19

About 4-benzyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-benzyl-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4,9-dibenzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-(3-fluorophenyl)-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;9-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-benzyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-benzyl-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4,9-dibenzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-(3-fluorophenyl)-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;9-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 158427996) has the molecular formula C111H132FN13O9 and a molecular weight of 1811.36 g/mol. Its IUPAC name is 4-benzyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-benzyl-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4,9-dibenzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-(3-fluorophenyl)-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;9-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-benzyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-benzyl-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4,9-dibenzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-(3-fluorophenyl)-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;9-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID158427996
Molecular FormulaC111H132FN13O9
Molecular Weight1811.36 g/mol
Exact Mass1810.03
IUPAC Name4-benzyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-benzyl-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4,9-dibenzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-(3-fluorophenyl)-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;9-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CCC2(CC1)CN(Cc1ccccc1)CCO2.O=C1COC2(CCN(CCc3c[nH]c4ccccc34)CC2)CN1Cc1ccccc1.O=C1COC2(CCN(CCc3c[nH]c4ccccc34)CC2)CN1c1cccc(F)c1.O=C1COC2(CCN(CCc3c[nH]c4ccccc34)CC2)CN1c1ccccc1.O=C1COC2(CCN(Cc3ccccc3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C25H29N3O2.C24H26FN3O2.C24H27N3O2.C22H26N2O2.C16H24N2O/c29-24-18-30-25(19-28(24)17-20-6-2-1-3-7-20)11-14-27(15-12-25)13-10-21-16-26-23-9-5-4-8-22(21)23;25-19-4-3-5-20(14-19)28-17-24(30-16-23(28)29)9-12-27(13-10-24)11-8-18-15-26-22-7-2-1-6-21(18)22;28-23-17-29-24(18-27(23)20-6-2-1-3-7-20)11-14-26(15-12-24)13-10-19-16-25-22-9-5-4-8-21(19)22;25-21-17-26-22(18-24(21)16-20-9-5-2-6-10-20)11-13-23(14-12-22)15-19-7-3-1-4-8-19;1-17-9-7-16(8-10-17)14-18(11-12-19-16)13-15-5-3-2-4-6-15/h1-9,16,26H,10-15,17-19H2;1-7,14-15,26H,8-13,16-17H2;1-9,16,25H,10-15,17-18H2;1-10H,11-18H2;2-6H,7-14H2,1H3
InChIKeyHBHIEAPQINQSSN-UHFFFAOYSA-N
XLogP16.02
TPSA194.20 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001811.36
LogP ≤ 516.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 4-benzyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-benzyl-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4,9-dibenzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-(3-fluorophenyl)-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;9-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

4-(3-fluorophenyl)-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 44381355
9-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 44381579
4-benzyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 44381598
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-(2-aminoethoxy)acetyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-diphenylpropanoyl]amino]hexanamide
CID 177657909
4-ethyl-9-[[2-fluoro-4-(1H-indol-6-yl)phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 72720690
N-(3,4-difluorophenyl)-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide;N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide
CID 157106731
(E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-[4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]prop-2-en-1-one;(E)-3-(3,5-difluorophenyl)-1-[4-hydroxy-4-[1-hydroxy-2-[4-(5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]prop-2-en-1-one
CID 159685321
N-benzyl-1-[3-(1H-inden-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-inden-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 157176108
1-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-4-methylpiperazine;1-[5-(1H-indol-2-yl)-3-pyridinyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]piperidin-1-yl]phenyl]-1H-indole
CID 157486596
cyclopropyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone;1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 157866067
1,3-bis[2-(1H-indol-3-yl)ethyl]-1,3-diazinane-2,4,6-trione;1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione;1-[2-(4-fluorophenyl)ethyl]-3-(2-piperidin-1-ylethyl)-1,3-diazinane-2,4,6-trione;1-[2-(4-fluorophenyl)ethyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-diazinane-2,4,6-trione
CID 158391420
cyclopropyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-methoxyethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-methylpropan-1-one;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(oxolan-3-yl)methanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]propan-1-one
CID 158453824

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-benzyl-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4,9-dibenzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-(3-fluorophenyl)-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;9-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-benzyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-benzyl-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4,9-dibenzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-(3-fluorophenyl)-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;9-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 158427996) is 4-benzyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-benzyl-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4,9-dibenzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-(3-fluorophenyl)-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;9-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-benzyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-benzyl-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4,9-dibenzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-(3-fluorophenyl)-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;9-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-benzyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-benzyl-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4,9-dibenzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-(3-fluorophenyl)-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;9-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CN1CCC2(CC1)CN(Cc1ccccc1)CCO2.O=C1COC2(CCN(CCc3c[nH]c4ccccc34)CC2)CN1Cc1ccccc1.O=C1COC2(CCN(CCc3c[nH]c4ccccc34)CC2)CN1c1cccc(F)c1.O=C1COC2(CCN(CCc3c[nH]c4ccccc34)CC2)CN1c1ccccc1.O=C1COC2(CCN(Cc3ccccc3)CC2)CN1Cc1ccccc1.
What is the InChIKey of 4-benzyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-benzyl-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4,9-dibenzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-(3-fluorophenyl)-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;9-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is HBHIEAPQINQSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2.C24H26FN3O2.C24H27N3O2.C22H26N2O2.C16H24N2O/c29-24-18-30-25(19-28(24)17-20-6-2-1-3-7-20)11-14-27(15-12-25)13-10-21-16-26-23-9-5-4-8-22(21)23;25-19-4-3-5-20(14-19)28-17-24(30-16-23(28)29)9-12-27(13-10-24)11-8-18-15-26-22-7-2-1-6-21(18)22;28-23-17-29-24(18-27(23)20-6-2-1-3-7-20)11-14-26(15-12-24)13-10-19-16-25-22-9-5-4-8-21(19)22;25-21-17-26-22(18-24(21)16-20-9-5-2-6-10-20)11-13-23(14-12-22)15-19-7-3-1-4-8-19;1-17-9-7-16(8-10-17)14-18(11-12-19-16)13-15-5-3-2-4-6-15/h1-9,16,26H,10-15,17-19H2;1-7,14-15,26H,8-13,16-17H2;1-9,16,25H,10-15,17-18H2;1-10H,11-18H2;2-6H,7-14H2,1H3.
What are the key properties of 4-benzyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-benzyl-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4,9-dibenzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-(3-fluorophenyl)-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;9-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-benzyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-benzyl-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4,9-dibenzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-(3-fluorophenyl)-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;9-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 1811.36 g/mol, XLogP of 16.02, 19 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-benzyl-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4,9-dibenzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;4-(3-fluorophenyl)-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;9-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 158427996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).