11-[(2R,4R)-2-methylpiperidin-4-yl]-3-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

C20H26N4O — CID 167533915

IUPAC11-[(2R,4R)-2-methylpiperidin-4-yl]-3-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESC[C@@H]1C[C@H](c2cn3c4c(ncc3n2)CC=C4C2CCOCC2)CCN1
InChIInChI=1S/C20H26N4O/c1-13-10-15(4-7-21-13)18-12-24-19(23-18)11-22-17-3-2-16(20(17)24)14-5-8-25-9-6-14/h2,11-15,21H,3-10H2,1H3/t13-,15-/m1/s1
InChIKeyUXJHJJBMZNOOLD-UKRRQHHQSA-N
MW338.46 g/mol
LogP2.95
Rot. Bonds2

About 11-[(2R,4R)-2-methylpiperidin-4-yl]-3-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

11-[(2R,4R)-2-methylpiperidin-4-yl]-3-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (PubChem CID 167533915) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 11-[(2R,4R)-2-methylpiperidin-4-yl]-3-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.

Molecular Properties

Compound Name11-[(2R,4R)-2-methylpiperidin-4-yl]-3-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
PubChem CID167533915
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name11-[(2R,4R)-2-methylpiperidin-4-yl]-3-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESC[C@@H]1C[C@H](c2cn3c4c(ncc3n2)CC=C4C2CCOCC2)CCN1
InChIInChI=1S/C20H26N4O/c1-13-10-15(4-7-21-13)18-12-24-19(23-18)11-22-17-3-2-16(20(17)24)14-5-8-25-9-6-14/h2,11-15,21H,3-10H2,1H3/t13-,15-/m1/s1
InChIKeyUXJHJJBMZNOOLD-UKRRQHHQSA-N
XLogP2.95
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 11-[(2R,4R)-2-methylpiperidin-4-yl]-3-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene with MolForge

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Related Compounds

11-[(2S,4S)-2-methylpiperidin-4-yl]-3-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 167533918
11-cyclohexyl-3-(oxolan-3-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 167623399
3-bromo-11-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-[dimethyl(oxo)-λ6-sulfanylidene]-1-(oxan-4-yl)ethanone
CID 167588438
4-(11-piperidin-4-yl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-2-one
CID 167588651
3-(3,6-dihydro-2H-pyran-4-yl)-11-(2-methylcyclohexyl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 167547433
tert-butyl 4-[3-(4-methoxycarbonylcyclohexyl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-11-yl]piperidine-1-carboxylate
CID 167549629
7-(2-methylpiperidin-4-yl)-2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride
CID 174173990
2-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine
CID 106745235
1-(11-cyclohexyl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-2-one
CID 167605505
1-(11-cyclohexyl-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)pentan-3-one
CID 167605504
2-methyl-4-(1-methylpyrazol-3-yl)piperidine
CID 106781759
3-imidazo[1,2-a]pyrazin-3-yl-5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole
CID 136588574

Frequently Asked Questions

What is the IUPAC name of 11-[(2R,4R)-2-methylpiperidin-4-yl]-3-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The IUPAC name of 11-[(2R,4R)-2-methylpiperidin-4-yl]-3-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (CID 167533915) is 11-[(2R,4R)-2-methylpiperidin-4-yl]-3-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.
What is the SMILES notation for 11-[(2R,4R)-2-methylpiperidin-4-yl]-3-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The canonical SMILES for 11-[(2R,4R)-2-methylpiperidin-4-yl]-3-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is C[C@@H]1C[C@H](c2cn3c4c(ncc3n2)CC=C4C2CCOCC2)CCN1.
What is the InChIKey of 11-[(2R,4R)-2-methylpiperidin-4-yl]-3-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The InChIKey is UXJHJJBMZNOOLD-UKRRQHHQSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13-10-15(4-7-21-13)18-12-24-19(23-18)11-22-17-3-2-16(20(17)24)14-5-8-25-9-6-14/h2,11-15,21H,3-10H2,1H3/t13-,15-/m1/s1.
What are the key properties of 11-[(2R,4R)-2-methylpiperidin-4-yl]-3-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
11-[(2R,4R)-2-methylpiperidin-4-yl]-3-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene has a molecular weight of 338.46 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(2R,4R)-2-methylpiperidin-4-yl]-3-(oxan-4-yl)-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is sourced from PubChem (CID 167533915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).