3-[3-oxo-9-[[4-[(7,7,9,9-tetradeuterio-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methyl]-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione

C31H32N4O4 — CID 164836543

IUPAC3-[3-oxo-9-[[4-[(7,7,9,9-tetradeuterio-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methyl]-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
SMILES[2H]C1([2H])CC2(CCCO2)CC([2H])([2H])N1Cc1ccc(Cc2ncc3c4c(cccc24)C(=O)N3C2CCC(=O)NC2=O)cc1
InChIInChI=1S/C31H32N4O4/c36-27-10-9-25(29(37)33-27)35-26-18-32-24(22-3-1-4-23(28(22)26)30(35)38)17-20-5-7-21(8-6-20)19-34-14-12-31(13-15-34)11-2-16-39-31/h1,3-8,18,25H,2,9-17,19H2,(H,33,36,37)/i14D2,15D2
InChIKeyMXGJVXVPGJHIOW-QZPARXMSSA-N
MW528.65 g/mol
LogP3.74
Rot. Bonds5

About 3-[3-oxo-9-[[4-[(7,7,9,9-tetradeuterio-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methyl]-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione

3-[3-oxo-9-[[4-[(7,7,9,9-tetradeuterio-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methyl]-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione (PubChem CID 164836543) has the molecular formula C31H32N4O4 and a molecular weight of 528.65 g/mol. Its IUPAC name is 3-[3-oxo-9-[[4-[(7,7,9,9-tetradeuterio-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methyl]-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-9-[[4-[(7,7,9,9-tetradeuterio-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methyl]-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
PubChem CID164836543
Molecular FormulaC31H32N4O4
Molecular Weight528.65 g/mol
Exact Mass528.27
IUPAC Name3-[3-oxo-9-[[4-[(7,7,9,9-tetradeuterio-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methyl]-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
SMILES[2H]C1([2H])CC2(CCCO2)CC([2H])([2H])N1Cc1ccc(Cc2ncc3c4c(cccc24)C(=O)N3C2CCC(=O)NC2=O)cc1
InChIInChI=1S/C31H32N4O4/c36-27-10-9-25(29(37)33-27)35-26-18-32-24(22-3-1-4-23(28(22)26)30(35)38)17-20-5-7-21(8-6-20)19-34-14-12-31(13-15-34)11-2-16-39-31/h1,3-8,18,25H,2,9-17,19H2,(H,33,36,37)/i14D2,15D2
InChIKeyMXGJVXVPGJHIOW-QZPARXMSSA-N
XLogP3.74
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.65
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[3-oxo-9-[[4-[(7,7,9,9-tetradeuterio-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methyl]-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

(3S)-3-[6-[[4-(1-oxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155207648
3-[9-[[4-[(2,2-dihydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
CID 155710405
CID 155710258
CID 155710258
3-hydroxy-3-[9-[[4-(1-oxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
CID 155710588
3-[6-[[4-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155207649
(3R)-3-[6-[[4-[[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155207568
3-(2-oxo-5-sulfanylbenzo[cd]indol-1-yl)piperidine-2,6-dione
CID 163258587
4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]benzaldehyde
CID 155195102
3-[6-[[4-(4,7-diazaspiro[2.5]octan-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride
CID 155194904
3-[5-(1-benzylpyrrolidin-3-yl)-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 163258328
(3R)-3-deuterio-3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 164836481
3-[9-[hydroxy(phenyl)methyl]-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
CID 155710760

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-9-[[4-[(7,7,9,9-tetradeuterio-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methyl]-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-9-[[4-[(7,7,9,9-tetradeuterio-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methyl]-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione (CID 164836543) is 3-[3-oxo-9-[[4-[(7,7,9,9-tetradeuterio-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methyl]-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-9-[[4-[(7,7,9,9-tetradeuterio-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methyl]-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-9-[[4-[(7,7,9,9-tetradeuterio-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methyl]-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione is [2H]C1([2H])CC2(CCCO2)CC([2H])([2H])N1Cc1ccc(Cc2ncc3c4c(cccc24)C(=O)N3C2CCC(=O)NC2=O)cc1.
What is the InChIKey of 3-[3-oxo-9-[[4-[(7,7,9,9-tetradeuterio-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methyl]-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione?
The InChIKey is MXGJVXVPGJHIOW-QZPARXMSSA-N. The full InChI is InChI=1S/C31H32N4O4/c36-27-10-9-25(29(37)33-27)35-26-18-32-24(22-3-1-4-23(28(22)26)30(35)38)17-20-5-7-21(8-6-20)19-34-14-12-31(13-15-34)11-2-16-39-31/h1,3-8,18,25H,2,9-17,19H2,(H,33,36,37)/i14D2,15D2.
What are the key properties of 3-[3-oxo-9-[[4-[(7,7,9,9-tetradeuterio-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methyl]-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione?
3-[3-oxo-9-[[4-[(7,7,9,9-tetradeuterio-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methyl]-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione has a molecular weight of 528.65 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-9-[[4-[(7,7,9,9-tetradeuterio-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methyl]-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 164836543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).