(6S)-10-(2-methoxyethyl)-1-methyl-4-(oxan-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C18H33N3O3 — CID 97153786

IUPAC(6S)-10-(2-methoxyethyl)-1-methyl-4-(oxan-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCOCCN1CC[C@@]2(CCC1=O)CN(C1CCOCC1)CCN2C
InChIInChI=1S/C18H33N3O3/c1-19-9-10-21(16-4-12-24-13-5-16)15-18(19)6-3-17(22)20(8-7-18)11-14-23-2/h16H,3-15H2,1-2H3/t18-/m0/s1
InChIKeyQBPNOYCWAJBIGV-SFHVURJKSA-N
MW339.48 g/mol
LogP0.81
Rot. Bonds4

About (6S)-10-(2-methoxyethyl)-1-methyl-4-(oxan-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-10-(2-methoxyethyl)-1-methyl-4-(oxan-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97153786) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is (6S)-10-(2-methoxyethyl)-1-methyl-4-(oxan-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-10-(2-methoxyethyl)-1-methyl-4-(oxan-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97153786
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name(6S)-10-(2-methoxyethyl)-1-methyl-4-(oxan-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCOCCN1CC[C@@]2(CCC1=O)CN(C1CCOCC1)CCN2C
InChIInChI=1S/C18H33N3O3/c1-19-9-10-21(16-4-12-24-13-5-16)15-18(19)6-3-17(22)20(8-7-18)11-14-23-2/h16H,3-15H2,1-2H3/t18-/m0/s1
InChIKeyQBPNOYCWAJBIGV-SFHVURJKSA-N
XLogP0.81
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6S)-10-(2-methoxyethyl)-1-methyl-4-(oxan-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one with MolForge

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Related Compounds

10-(2-methoxyethyl)-1-methyl-4-(oxan-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72934530
(6S)-4-(1-ethylpiperidin-4-yl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97147509
(6R)-4-(1-ethylpiperidin-4-yl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98789011
4-(4-fluorobutyl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70777697
4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70731372
ethyl 4-[(6S)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]piperidine-1-carboxylate
CID 97210276
(6S)-10-(2-methoxyethyl)-1-methyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97130711
(6R)-4-(furan-2-carbonyl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97150981
(6S)-10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97142214
(6R)-10-(2-methoxyethyl)-1-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98841921
10-(2-methoxyethyl)-1-methyl-4-(1,2-oxazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72918843
(6S)-10-(2-methoxyethyl)-1-methyl-4-(1,2-oxazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97146365

Frequently Asked Questions

What is the IUPAC name of (6S)-10-(2-methoxyethyl)-1-methyl-4-(oxan-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-10-(2-methoxyethyl)-1-methyl-4-(oxan-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97153786) is (6S)-10-(2-methoxyethyl)-1-methyl-4-(oxan-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-10-(2-methoxyethyl)-1-methyl-4-(oxan-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-10-(2-methoxyethyl)-1-methyl-4-(oxan-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one is COCCN1CC[C@@]2(CCC1=O)CN(C1CCOCC1)CCN2C.
What is the InChIKey of (6S)-10-(2-methoxyethyl)-1-methyl-4-(oxan-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is QBPNOYCWAJBIGV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-19-9-10-21(16-4-12-24-13-5-16)15-18(19)6-3-17(22)20(8-7-18)11-14-23-2/h16H,3-15H2,1-2H3/t18-/m0/s1.
What are the key properties of (6S)-10-(2-methoxyethyl)-1-methyl-4-(oxan-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-10-(2-methoxyethyl)-1-methyl-4-(oxan-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 339.48 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-10-(2-methoxyethyl)-1-methyl-4-(oxan-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97153786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).