5-hydroxy-1-[6-[(3-methoxycyclobutyl)-methylamino]-2-azaspiro[3.3]heptan-2-yl]pentan-1-one

C17H30N2O3 — CID 156719641

IUPAC5-hydroxy-1-[6-[(3-methoxycyclobutyl)-methylamino]-2-azaspiro[3.3]heptan-2-yl]pentan-1-one
SMILESCOC1CC(N(C)C2CC3(C2)CN(C(=O)CCCCO)C3)C1
InChIInChI=1S/C17H30N2O3/c1-18(13-7-15(8-13)22-2)14-9-17(10-14)11-19(12-17)16(21)5-3-4-6-20/h13-15,20H,3-12H2,1-2H3
InChIKeyNPBPJRIAJBXTRD-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.25
Rot. Bonds7

About 5-hydroxy-1-[6-[(3-methoxycyclobutyl)-methylamino]-2-azaspiro[3.3]heptan-2-yl]pentan-1-one

5-hydroxy-1-[6-[(3-methoxycyclobutyl)-methylamino]-2-azaspiro[3.3]heptan-2-yl]pentan-1-one (PubChem CID 156719641) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 5-hydroxy-1-[6-[(3-methoxycyclobutyl)-methylamino]-2-azaspiro[3.3]heptan-2-yl]pentan-1-one.

Molecular Properties

Compound Name5-hydroxy-1-[6-[(3-methoxycyclobutyl)-methylamino]-2-azaspiro[3.3]heptan-2-yl]pentan-1-one
PubChem CID156719641
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name5-hydroxy-1-[6-[(3-methoxycyclobutyl)-methylamino]-2-azaspiro[3.3]heptan-2-yl]pentan-1-one
SMILESCOC1CC(N(C)C2CC3(C2)CN(C(=O)CCCCO)C3)C1
InChIInChI=1S/C17H30N2O3/c1-18(13-7-15(8-13)22-2)14-9-17(10-14)11-19(12-17)16(21)5-3-4-6-20/h13-15,20H,3-12H2,1-2H3
InChIKeyNPBPJRIAJBXTRD-UHFFFAOYSA-N
XLogP1.25
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-hydroxy-1-[6-[(3-methoxycyclobutyl)-methylamino]-2-azaspiro[3.3]heptan-2-yl]pentan-1-one with MolForge

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Related Compounds

5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 19039692
methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate
CID 79199255
5-(2-methylbutan-2-yloxy)-1-[4-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]piperidin-1-yl]pentan-1-one
CID 146520234
N-[[1-(5-hydroxypentanoyl)piperidin-4-yl]methyl]acetamide
CID 102737035
5-hydroxy-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pentan-1-one
CID 79198764
5-bromo-1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 107908012
1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 110725259
5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
CID 103503955
6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one
CID 103532834
[4-(dimethylamino)piperidin-1-yl]-(3-methoxycyclobutyl)methanone
CID 154866121
1-(6-tert-butyl-2-azaspiro[3.3]heptan-2-yl)-2-[3-(1-tert-butylazetidin-3-yl)oxypropoxy]ethanone;2-[3-[4-(1-tert-butylazetidin-3-yl)oxybutoxy]propyl]-6-[(2-methylpropan-2-yl)oxy]-2-azaspiro[3.3]heptane;2-tert-butyl-6-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butoxy]-2-azaspiro[3.3]heptane;1-tert-butyl-3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;1-tert-butyl-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine;methane;1-[6-[methyl-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]-2-azaspiro[3.3]heptan-2-yl]-5-[(2-methylpropan-2-yl)oxy]pentan-1-one;6-[(2-methylpropan-2-yl)oxy]-2-[4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butyl]-2-azaspiro[3.3]heptane;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propyl]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]azetidine
CID 159025305
1-(4-hydroxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 79200392

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[6-[(3-methoxycyclobutyl)-methylamino]-2-azaspiro[3.3]heptan-2-yl]pentan-1-one?
The IUPAC name of 5-hydroxy-1-[6-[(3-methoxycyclobutyl)-methylamino]-2-azaspiro[3.3]heptan-2-yl]pentan-1-one (CID 156719641) is 5-hydroxy-1-[6-[(3-methoxycyclobutyl)-methylamino]-2-azaspiro[3.3]heptan-2-yl]pentan-1-one.
What is the SMILES notation for 5-hydroxy-1-[6-[(3-methoxycyclobutyl)-methylamino]-2-azaspiro[3.3]heptan-2-yl]pentan-1-one?
The canonical SMILES for 5-hydroxy-1-[6-[(3-methoxycyclobutyl)-methylamino]-2-azaspiro[3.3]heptan-2-yl]pentan-1-one is COC1CC(N(C)C2CC3(C2)CN(C(=O)CCCCO)C3)C1.
What is the InChIKey of 5-hydroxy-1-[6-[(3-methoxycyclobutyl)-methylamino]-2-azaspiro[3.3]heptan-2-yl]pentan-1-one?
The InChIKey is NPBPJRIAJBXTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-18(13-7-15(8-13)22-2)14-9-17(10-14)11-19(12-17)16(21)5-3-4-6-20/h13-15,20H,3-12H2,1-2H3.
What are the key properties of 5-hydroxy-1-[6-[(3-methoxycyclobutyl)-methylamino]-2-azaspiro[3.3]heptan-2-yl]pentan-1-one?
5-hydroxy-1-[6-[(3-methoxycyclobutyl)-methylamino]-2-azaspiro[3.3]heptan-2-yl]pentan-1-one has a molecular weight of 310.44 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[6-[(3-methoxycyclobutyl)-methylamino]-2-azaspiro[3.3]heptan-2-yl]pentan-1-one is sourced from PubChem (CID 156719641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).