6-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]-2,6-diazaspiro[3.4]octane

C16H32N4 — CID 129135892

IUPAC6-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]-2,6-diazaspiro[3.4]octane
SMILESCC(C)N1CCN(CC(C)N2CCC3(CNC3)C2)CC1
InChIInChI=1S/C16H32N4/c1-14(2)19-8-6-18(7-9-19)10-15(3)20-5-4-16(13-20)11-17-12-16/h14-15,17H,4-13H2,1-3H3
InChIKeyYMUCKUADEGFAEJ-UHFFFAOYSA-N
MW280.46 g/mol
LogP0.70
Rot. Bonds4

About 6-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]-2,6-diazaspiro[3.4]octane

6-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]-2,6-diazaspiro[3.4]octane (PubChem CID 129135892) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 6-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]-2,6-diazaspiro[3.4]octane.

Molecular Properties

Compound Name6-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]-2,6-diazaspiro[3.4]octane
PubChem CID129135892
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name6-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]-2,6-diazaspiro[3.4]octane
SMILESCC(C)N1CCN(CC(C)N2CCC3(CNC3)C2)CC1
InChIInChI=1S/C16H32N4/c1-14(2)19-8-6-18(7-9-19)10-15(3)20-5-4-16(13-20)11-17-12-16/h14-15,17H,4-13H2,1-3H3
InChIKeyYMUCKUADEGFAEJ-UHFFFAOYSA-N
XLogP0.70
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]-2,6-diazaspiro[3.4]octane?
The IUPAC name of 6-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]-2,6-diazaspiro[3.4]octane (CID 129135892) is 6-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]-2,6-diazaspiro[3.4]octane.
What is the SMILES notation for 6-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]-2,6-diazaspiro[3.4]octane?
The canonical SMILES for 6-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]-2,6-diazaspiro[3.4]octane is CC(C)N1CCN(CC(C)N2CCC3(CNC3)C2)CC1.
What is the InChIKey of 6-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]-2,6-diazaspiro[3.4]octane?
The InChIKey is YMUCKUADEGFAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-14(2)19-8-6-18(7-9-19)10-15(3)20-5-4-16(13-20)11-17-12-16/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 6-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]-2,6-diazaspiro[3.4]octane?
6-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]-2,6-diazaspiro[3.4]octane has a molecular weight of 280.46 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]-2,6-diazaspiro[3.4]octane is sourced from PubChem (CID 129135892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).