3-ethyl-9-piperidin-4-yl-2-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one

C17H30N4O — CID 71103884

IUPAC3-ethyl-9-piperidin-4-yl-2-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
SMILESCCN1C(=O)C2(CCCN(C3CCNCC3)C2)N=C1C(C)C
InChIInChI=1S/C17H30N4O/c1-4-21-15(13(2)3)19-17(16(21)22)8-5-11-20(12-17)14-6-9-18-10-7-14/h13-14,18H,4-12H2,1-3H3
InChIKeyPFEUSVHVABKAGN-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.49
Rot. Bonds3

About 3-ethyl-9-piperidin-4-yl-2-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one

3-ethyl-9-piperidin-4-yl-2-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 71103884) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-ethyl-9-piperidin-4-yl-2-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name3-ethyl-9-piperidin-4-yl-2-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
PubChem CID71103884
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name3-ethyl-9-piperidin-4-yl-2-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
SMILESCCN1C(=O)C2(CCCN(C3CCNCC3)C2)N=C1C(C)C
InChIInChI=1S/C17H30N4O/c1-4-21-15(13(2)3)19-17(16(21)22)8-5-11-20(12-17)14-6-9-18-10-7-14/h13-14,18H,4-12H2,1-3H3
InChIKeyPFEUSVHVABKAGN-UHFFFAOYSA-N
XLogP1.49
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-9-piperidin-4-yl-2-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 3-ethyl-9-piperidin-4-yl-2-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one (CID 71103884) is 3-ethyl-9-piperidin-4-yl-2-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 3-ethyl-9-piperidin-4-yl-2-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 3-ethyl-9-piperidin-4-yl-2-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one is CCN1C(=O)C2(CCCN(C3CCNCC3)C2)N=C1C(C)C.
What is the InChIKey of 3-ethyl-9-piperidin-4-yl-2-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is PFEUSVHVABKAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-4-21-15(13(2)3)19-17(16(21)22)8-5-11-20(12-17)14-6-9-18-10-7-14/h13-14,18H,4-12H2,1-3H3.
What are the key properties of 3-ethyl-9-piperidin-4-yl-2-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
3-ethyl-9-piperidin-4-yl-2-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 306.45 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-9-piperidin-4-yl-2-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 71103884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).