2-(4-butylpiperidin-1-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C16H28N4O — CID 70828863

IUPAC2-(4-butylpiperidin-1-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCCCC1CCN(C2=NC3(CCNCC3)C(=O)N2)CC1
InChIInChI=1S/C16H28N4O/c1-2-3-4-13-5-11-20(12-6-13)15-18-14(21)16(19-15)7-9-17-10-8-16/h13,17H,2-12H2,1H3,(H,18,19,21)
InChIKeyHWYUNLXPGDFSQO-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.50
Rot. Bonds3

About 2-(4-butylpiperidin-1-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-(4-butylpiperidin-1-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 70828863) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(4-butylpiperidin-1-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(4-butylpiperidin-1-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID70828863
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-(4-butylpiperidin-1-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCCCC1CCN(C2=NC3(CCNCC3)C(=O)N2)CC1
InChIInChI=1S/C16H28N4O/c1-2-3-4-13-5-11-20(12-6-13)15-18-14(21)16(19-15)7-9-17-10-8-16/h13,17H,2-12H2,1H3,(H,18,19,21)
InChIKeyHWYUNLXPGDFSQO-UHFFFAOYSA-N
XLogP1.50
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butylpiperidin-1-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(4-butylpiperidin-1-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 70828863) is 2-(4-butylpiperidin-1-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(4-butylpiperidin-1-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(4-butylpiperidin-1-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CCCCC1CCN(C2=NC3(CCNCC3)C(=O)N2)CC1.
What is the InChIKey of 2-(4-butylpiperidin-1-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is HWYUNLXPGDFSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-2-3-4-13-5-11-20(12-6-13)15-18-14(21)16(19-15)7-9-17-10-8-16/h13,17H,2-12H2,1H3,(H,18,19,21).
What are the key properties of 2-(4-butylpiperidin-1-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(4-butylpiperidin-1-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 292.43 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylpiperidin-1-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 70828863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).