1',5,7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-piperidin-1-ium]-6-one

C15H28N3O+3 — CID 4247917

IUPAC1',5,7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-piperidin-1-ium]-6-one
SMILESC[NH+]1CCC2(CC1)[NH+]1CC3(C)C[NH+]2CC(C)(C1)C3=O
InChIInChI=1S/C15H25N3O/c1-13-8-17-10-14(2,12(13)19)11-18(9-13)15(17)4-6-16(3)7-5-15/h4-11H2,1-3H3/p+3
InChIKeyDOHGRDTUPJLBFR-UHFFFAOYSA-Q
MW266.41 g/mol
LogP-3.62
Rot. Bonds

About 1',5,7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-piperidin-1-ium]-6-one

1',5,7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-piperidin-1-ium]-6-one (PubChem CID 4247917) has the molecular formula C15H28N3O+3 and a molecular weight of 266.41 g/mol. Its IUPAC name is 1',5,7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-piperidin-1-ium]-6-one.

Molecular Properties

Compound Name1',5,7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-piperidin-1-ium]-6-one
PubChem CID4247917
Molecular FormulaC15H28N3O+3
Molecular Weight266.41 g/mol
Exact Mass266.22
IUPAC Name1',5,7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-piperidin-1-ium]-6-one
SMILESC[NH+]1CCC2(CC1)[NH+]1CC3(C)C[NH+]2CC(C)(C1)C3=O
InChIInChI=1S/C15H25N3O/c1-13-8-17-10-14(2,12(13)19)11-18(9-13)15(17)4-6-16(3)7-5-15/h4-11H2,1-3H3/p+3
InChIKeyDOHGRDTUPJLBFR-UHFFFAOYSA-Q
XLogP-3.62
TPSA30.39 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 5-3.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze 1',5,7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-piperidin-1-ium]-6-one with MolForge

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Related Compounds

1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 2,2,5,7-tetramethyl-
CID 596440
5,7-Dimethyl-1,3-diazaadamantan-6-one
CID 586797
Spiro(cyclohexane-1,2'-(1,3)diazatricyclo(3.3.1.1(sup 3,7))decan)-6'-one, 5',7'-dimethyl-
CID 689311
Spiro(cyclopentane-1,2'-(1,3)diazatricyclo(3.3.1.1(sup 3,7))decan)-6'-one, 5',7'-dimethyl-
CID 703056
1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-ethyl-
CID 1738129
2-Butyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
CID 2055141
(1r,5R,7S)-1',5,7-trimethyl-1,3-diazaspiro[adamantane-2,4'-piperidin]-6-one
CID 3537772
2,5,7-Trimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
CID 16409130
2-Butyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
CID 3132863
5-(t-Butylamino)methyl-1,3-diazaadamantan-6-one
CID 132276110
2-Isobutyl-2,5,7-trimethyl-1,3-diazaadamantan-6-one
CID 138115510
2,2,5,7-Tetramethyl-1,3-diazaadamantan-6-one hydrate
CID 155920342

Frequently Asked Questions

What is the IUPAC name of 1',5,7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-piperidin-1-ium]-6-one?
The IUPAC name of 1',5,7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-piperidin-1-ium]-6-one (CID 4247917) is 1',5,7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-piperidin-1-ium]-6-one.
What is the SMILES notation for 1',5,7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-piperidin-1-ium]-6-one?
The canonical SMILES for 1',5,7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-piperidin-1-ium]-6-one is C[NH+]1CCC2(CC1)[NH+]1CC3(C)C[NH+]2CC(C)(C1)C3=O.
What is the InChIKey of 1',5,7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-piperidin-1-ium]-6-one?
The InChIKey is DOHGRDTUPJLBFR-UHFFFAOYSA-Q. The full InChI is InChI=1S/C15H25N3O/c1-13-8-17-10-14(2,12(13)19)11-18(9-13)15(17)4-6-16(3)7-5-15/h4-11H2,1-3H3/p+3.
What are the key properties of 1',5,7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-piperidin-1-ium]-6-one?
1',5,7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-piperidin-1-ium]-6-one has a molecular weight of 266.41 g/mol, XLogP of -3.62, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1',5,7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-piperidin-1-ium]-6-one is sourced from PubChem (CID 4247917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).