3-oxo-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide

C13H17N5O2 — CID 3818978

IUPAC3-oxo-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide
SMILESNC(=O)N1CCC2(CC1)NC(=O)N(c1ccccc1)N2
InChIInChI=1S/C13H17N5O2/c14-11(19)17-8-6-13(7-9-17)15-12(20)18(16-13)10-4-2-1-3-5-10/h1-5,16H,6-9H2,(H2,14,19)(H,15,20)
InChIKeyYTPXIUGCHGEXFX-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.59
Rot. Bonds1

About 3-oxo-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide

3-oxo-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide (PubChem CID 3818978) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-oxo-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name3-oxo-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide
PubChem CID3818978
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name3-oxo-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide
SMILESNC(=O)N1CCC2(CC1)NC(=O)N(c1ccccc1)N2
InChIInChI=1S/C13H17N5O2/c14-11(19)17-8-6-13(7-9-17)15-12(20)18(16-13)10-4-2-1-3-5-10/h1-5,16H,6-9H2,(H2,14,19)(H,15,20)
InChIKeyYTPXIUGCHGEXFX-UHFFFAOYSA-N
XLogP0.59
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 3-oxo-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide (CID 3818978) is 3-oxo-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 3-oxo-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 3-oxo-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide is NC(=O)N1CCC2(CC1)NC(=O)N(c1ccccc1)N2.
What is the InChIKey of 3-oxo-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide?
The InChIKey is YTPXIUGCHGEXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c14-11(19)17-8-6-13(7-9-17)15-12(20)18(16-13)10-4-2-1-3-5-10/h1-5,16H,6-9H2,(H2,14,19)(H,15,20).
What are the key properties of 3-oxo-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide?
3-oxo-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 3818978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).