3-(1-hydroxy-2,2,6-trimethylpiperidin-4-yl)-9-(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione

C25H44N8O3S — CID 143193565

IUPAC3-(1-hydroxy-2,2,6-trimethylpiperidin-4-yl)-9-(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione
SMILESCC1CC(N2CN3C(=O)N4CN(C5CC(C)(C)N(S)C(C)(C)C5)CN5C(=O)N(C2)C3C45)CC(C)(C)N1O
InChIInChI=1S/C25H44N8O3S/c1-16-8-17(9-23(2,3)32(16)36)26-12-28-19-20-30(21(28)34)14-27(15-31(20)22(35)29(19)13-26)18-10-24(4,5)33(37)25(6,7)11-18/h16-20,36-37H,8-15H2,1-7H3
InChIKeyGXOXZDSKPYPWON-UHFFFAOYSA-N
MW536.75 g/mol
LogP2.46
Rot. Bonds2

About 3-(1-hydroxy-2,2,6-trimethylpiperidin-4-yl)-9-(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione

3-(1-hydroxy-2,2,6-trimethylpiperidin-4-yl)-9-(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione (PubChem CID 143193565) has the molecular formula C25H44N8O3S and a molecular weight of 536.75 g/mol. Its IUPAC name is 3-(1-hydroxy-2,2,6-trimethylpiperidin-4-yl)-9-(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione.

Molecular Properties

Compound Name3-(1-hydroxy-2,2,6-trimethylpiperidin-4-yl)-9-(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione
PubChem CID143193565
Molecular FormulaC25H44N8O3S
Molecular Weight536.75 g/mol
Exact Mass536.33
IUPAC Name3-(1-hydroxy-2,2,6-trimethylpiperidin-4-yl)-9-(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione
SMILESCC1CC(N2CN3C(=O)N4CN(C5CC(C)(C)N(S)C(C)(C)C5)CN5C(=O)N(C2)C3C45)CC(C)(C)N1O
InChIInChI=1S/C25H44N8O3S/c1-16-8-17(9-23(2,3)32(16)36)26-12-28-19-20-30(21(28)34)14-27(15-31(20)22(35)29(19)13-26)18-10-24(4,5)33(37)25(6,7)11-18/h16-20,36-37H,8-15H2,1-7H3
InChIKeyGXOXZDSKPYPWON-UHFFFAOYSA-N
XLogP2.46
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.75
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-(1-hydroxy-2,2,6-trimethylpiperidin-4-yl)-9-(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione with MolForge

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Related Compounds

3-(4-ethyl-3,3,5,5-tetramethylpiperazin-1-yl)-9-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione
CID 71020792
11-(5,5-dimethylhept-6-yn-3-yl)-3-hydroxy-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)-3,5,7,9,11,13-hexazatricyclo[7.4.0.02,7]tridecan-8-one
CID 143398673
11-(5,5-dimethylhept-6-yn-3-yl)-3-hydroxy-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)-3,5,7,9,11,13-hexazatricyclo[7.4.0.02,7]tridecan-8-one;ethane
CID 143398672
1,3-bis[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]imidazolidin-2-one
CID 23451960
1,3,5,5-tetramethylpyrrolidin-2-one
CID 58984178
1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-3-[1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2,5-dioxopyrrolidin-3-yl]pyrrolidine-2,5-dione
CID 163804231
1-hydroxy-2,2,4,6,6-pentamethylpiperidine
CID 162143693
Cucurbit[5]uril hydrate, contains acid of crystalization
CID 71311117
5-[(1S,5S)-3,3,5-trimethylcyclohexyl]-3-[(1S,5R)-3,3,5-trimethylcyclohexyl]-1,3,5-thiadiazinane-2-thione
CID 124794777
(2R,4S,8S,10R)-2,4,8,10-tetramethyl-1,5,7,11-tetrazatetracyclo[9.2.1.05,13.07,12]tetradecane
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CID 102063381
CID 102063381

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-2,2,6-trimethylpiperidin-4-yl)-9-(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione?
The IUPAC name of 3-(1-hydroxy-2,2,6-trimethylpiperidin-4-yl)-9-(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione (CID 143193565) is 3-(1-hydroxy-2,2,6-trimethylpiperidin-4-yl)-9-(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione.
What is the SMILES notation for 3-(1-hydroxy-2,2,6-trimethylpiperidin-4-yl)-9-(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione?
The canonical SMILES for 3-(1-hydroxy-2,2,6-trimethylpiperidin-4-yl)-9-(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione is CC1CC(N2CN3C(=O)N4CN(C5CC(C)(C)N(S)C(C)(C)C5)CN5C(=O)N(C2)C3C45)CC(C)(C)N1O.
What is the InChIKey of 3-(1-hydroxy-2,2,6-trimethylpiperidin-4-yl)-9-(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione?
The InChIKey is GXOXZDSKPYPWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N8O3S/c1-16-8-17(9-23(2,3)32(16)36)26-12-28-19-20-30(21(28)34)14-27(15-31(20)22(35)29(19)13-26)18-10-24(4,5)33(37)25(6,7)11-18/h16-20,36-37H,8-15H2,1-7H3.
What are the key properties of 3-(1-hydroxy-2,2,6-trimethylpiperidin-4-yl)-9-(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione?
3-(1-hydroxy-2,2,6-trimethylpiperidin-4-yl)-9-(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione has a molecular weight of 536.75 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-2,2,6-trimethylpiperidin-4-yl)-9-(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl)-1,3,5,7,9,11-hexazatetracyclo[9.2.1.05,13.07,12]tetradecane-6,14-dione is sourced from PubChem (CID 143193565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).