7-propan-2-yl-2-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-2,7-diazaspiro[3.4]octane

C22H44N4 — CID 135219663

IUPAC7-propan-2-yl-2-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-2,7-diazaspiro[3.4]octane
SMILESCC(C)N1CCN(C(C)CCC(C)N2CC3(CCN(C(C)C)C3)C2)CC1
InChIInChI=1S/C22H44N4/c1-18(2)23-11-13-24(14-12-23)20(5)7-8-21(6)26-16-22(17-26)9-10-25(15-22)19(3)4/h18-21H,7-17H2,1-6H3
InChIKeyZKORJZWUQCXBFO-UHFFFAOYSA-N
MW364.62 g/mol
LogP2.99
Rot. Bonds7

About 7-propan-2-yl-2-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-2,7-diazaspiro[3.4]octane

7-propan-2-yl-2-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-2,7-diazaspiro[3.4]octane (PubChem CID 135219663) has the molecular formula C22H44N4 and a molecular weight of 364.62 g/mol. Its IUPAC name is 7-propan-2-yl-2-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name7-propan-2-yl-2-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-2,7-diazaspiro[3.4]octane
PubChem CID135219663
Molecular FormulaC22H44N4
Molecular Weight364.62 g/mol
Exact Mass364.36
IUPAC Name7-propan-2-yl-2-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-2,7-diazaspiro[3.4]octane
SMILESCC(C)N1CCN(C(C)CCC(C)N2CC3(CCN(C(C)C)C3)C2)CC1
InChIInChI=1S/C22H44N4/c1-18(2)23-11-13-24(14-12-23)20(5)7-8-21(6)26-16-22(17-26)9-10-25(15-22)19(3)4/h18-21H,7-17H2,1-6H3
InChIKeyZKORJZWUQCXBFO-UHFFFAOYSA-N
XLogP2.99
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.62
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-2,7-diazaspiro[3.4]octane?
The IUPAC name of 7-propan-2-yl-2-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-2,7-diazaspiro[3.4]octane (CID 135219663) is 7-propan-2-yl-2-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 7-propan-2-yl-2-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 7-propan-2-yl-2-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-2,7-diazaspiro[3.4]octane is CC(C)N1CCN(C(C)CCC(C)N2CC3(CCN(C(C)C)C3)C2)CC1.
What is the InChIKey of 7-propan-2-yl-2-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-2,7-diazaspiro[3.4]octane?
The InChIKey is ZKORJZWUQCXBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N4/c1-18(2)23-11-13-24(14-12-23)20(5)7-8-21(6)26-16-22(17-26)9-10-25(15-22)19(3)4/h18-21H,7-17H2,1-6H3.
What are the key properties of 7-propan-2-yl-2-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-2,7-diazaspiro[3.4]octane?
7-propan-2-yl-2-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-2,7-diazaspiro[3.4]octane has a molecular weight of 364.62 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 135219663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).