1'-methylspiro[8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]

C15H17N3O — CID 58551804

IUPAC1'-methylspiro[8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]
SMILESCN1CCC2(CC1)Oc1ncccc1-n1cccc12
InChIInChI=1S/C15H17N3O/c1-17-10-6-15(7-11-17)13-5-3-9-18(13)12-4-2-8-16-14(12)19-15/h2-5,8-9H,6-7,10-11H2,1H3
InChIKeyBHYKCLSSESSIHF-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.19
Rot. Bonds

About 1'-methylspiro[8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]

1'-methylspiro[8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine] (PubChem CID 58551804) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1'-methylspiro[8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine].

Molecular Properties

Compound Name1'-methylspiro[8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]
PubChem CID58551804
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1'-methylspiro[8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]
SMILESCN1CCC2(CC1)Oc1ncccc1-n1cccc12
InChIInChI=1S/C15H17N3O/c1-17-10-6-15(7-11-17)13-5-3-9-18(13)12-4-2-8-16-14(12)19-15/h2-5,8-9H,6-7,10-11H2,1H3
InChIKeyBHYKCLSSESSIHF-UHFFFAOYSA-N
XLogP2.19
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]?
The IUPAC name of 1'-methylspiro[8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine] (CID 58551804) is 1'-methylspiro[8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine].
What is the SMILES notation for 1'-methylspiro[8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]?
The canonical SMILES for 1'-methylspiro[8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine] is CN1CCC2(CC1)Oc1ncccc1-n1cccc12.
What is the InChIKey of 1'-methylspiro[8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]?
The InChIKey is BHYKCLSSESSIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-17-10-6-15(7-11-17)13-5-3-9-18(13)12-4-2-8-16-14(12)19-15/h2-5,8-9H,6-7,10-11H2,1H3.
What are the key properties of 1'-methylspiro[8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]?
1'-methylspiro[8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine] has a molecular weight of 255.32 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine] is sourced from PubChem (CID 58551804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).