4-hydroxy-12-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

C16H26N2O3 — CID 73201092

IUPAC4-hydroxy-12-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
SMILESCOC1CCN2CC3CC(CN4C(=O)CC(O)CC34)C2C1
InChIInChI=1S/C16H26N2O3/c1-21-13-2-3-17-8-10-4-11(14(17)7-13)9-18-15(10)5-12(19)6-16(18)20/h10-15,19H,2-9H2,1H3
InChIKeyFYIAUDFYQXDNLE-UHFFFAOYSA-N
MW294.39 g/mol
LogP0.47
Rot. Bonds1

About 4-hydroxy-12-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

4-hydroxy-12-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one (PubChem CID 73201092) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-hydroxy-12-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one.

Molecular Properties

Compound Name4-hydroxy-12-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
PubChem CID73201092
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name4-hydroxy-12-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
SMILESCOC1CCN2CC3CC(CN4C(=O)CC(O)CC34)C2C1
InChIInChI=1S/C16H26N2O3/c1-21-13-2-3-17-8-10-4-11(14(17)7-13)9-18-15(10)5-12(19)6-16(18)20/h10-15,19H,2-9H2,1H3
InChIKeyFYIAUDFYQXDNLE-UHFFFAOYSA-N
XLogP0.47
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-12-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one with MolForge

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Related Compounds

[(1R,2S,4S,9R,10R,12S)-12-hydroxy-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] 1H-pyrrole-2-carboxylate
CID 154497457
(1S,2R,9S,10S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 21139805
(1S,2R,4R,5S,9S,10S,12S)-4,5,12-trihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 15939845
(1S,2S,7S,8aS)-7-hydroxy-1,2-bis(methoxymethoxy)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10826236
(1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol
CID 162992981
trans-(1R,2R)-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-ol
CID 103536869
(1R,2R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 163184988
(1R,2R,9R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 134715220
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 6101749
(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;dihydrochloride
CID 76970776
[(1R,2S,4S,9S,10R)-16-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] (E)-2-methylbut-2-enoate
CID 162938318
(2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;perchloric acid
CID 171154156

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-12-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The IUPAC name of 4-hydroxy-12-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one (CID 73201092) is 4-hydroxy-12-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one.
What is the SMILES notation for 4-hydroxy-12-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The canonical SMILES for 4-hydroxy-12-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one is COC1CCN2CC3CC(CN4C(=O)CC(O)CC34)C2C1.
What is the InChIKey of 4-hydroxy-12-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
The InChIKey is FYIAUDFYQXDNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-21-13-2-3-17-8-10-4-11(14(17)7-13)9-18-15(10)5-12(19)6-16(18)20/h10-15,19H,2-9H2,1H3.
What are the key properties of 4-hydroxy-12-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one?
4-hydroxy-12-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one has a molecular weight of 294.39 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-12-methoxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one is sourced from PubChem (CID 73201092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).