7,10,14,17-tetrazaspiro[4.13]octadecan-4-one

C14H28N4O — CID 101251962

IUPAC7,10,14,17-tetrazaspiro[4.13]octadecan-4-one
SMILESO=C1CCCC12CNCCNCCCNCCNC2
InChIInChI=1S/C14H28N4O/c19-13-3-1-4-14(13)11-17-9-7-15-5-2-6-16-8-10-18-12-14/h15-18H,1-12H2
InChIKeyLKELDIZXGCRHDB-UHFFFAOYSA-N
MW268.40 g/mol
LogP-0.51
Rot. Bonds

About 7,10,14,17-tetrazaspiro[4.13]octadecan-4-one

7,10,14,17-tetrazaspiro[4.13]octadecan-4-one (PubChem CID 101251962) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 7,10,14,17-tetrazaspiro[4.13]octadecan-4-one.

Molecular Properties

Compound Name7,10,14,17-tetrazaspiro[4.13]octadecan-4-one
PubChem CID101251962
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name7,10,14,17-tetrazaspiro[4.13]octadecan-4-one
SMILESO=C1CCCC12CNCCNCCCNCCNC2
InChIInChI=1S/C14H28N4O/c19-13-3-1-4-14(13)11-17-9-7-15-5-2-6-16-8-10-18-12-14/h15-18H,1-12H2
InChIKeyLKELDIZXGCRHDB-UHFFFAOYSA-N
XLogP-0.51
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,10,14,17-tetrazaspiro[4.13]octadecan-4-one?
The IUPAC name of 7,10,14,17-tetrazaspiro[4.13]octadecan-4-one (CID 101251962) is 7,10,14,17-tetrazaspiro[4.13]octadecan-4-one.
What is the SMILES notation for 7,10,14,17-tetrazaspiro[4.13]octadecan-4-one?
The canonical SMILES for 7,10,14,17-tetrazaspiro[4.13]octadecan-4-one is O=C1CCCC12CNCCNCCCNCCNC2.
What is the InChIKey of 7,10,14,17-tetrazaspiro[4.13]octadecan-4-one?
The InChIKey is LKELDIZXGCRHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c19-13-3-1-4-14(13)11-17-9-7-15-5-2-6-16-8-10-18-12-14/h15-18H,1-12H2.
What are the key properties of 7,10,14,17-tetrazaspiro[4.13]octadecan-4-one?
7,10,14,17-tetrazaspiro[4.13]octadecan-4-one has a molecular weight of 268.40 g/mol, XLogP of -0.51, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10,14,17-tetrazaspiro[4.13]octadecan-4-one is sourced from PubChem (CID 101251962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).