7-[(2R)-2-piperazin-1-ylpropyl]-2-propan-2-yl-2,7-diazaspiro[3.4]octane

C16H32N4 — CID 135213285

IUPAC7-[(2R)-2-piperazin-1-ylpropyl]-2-propan-2-yl-2,7-diazaspiro[3.4]octane
SMILESCC(C)N1CC2(CCN(C[C@@H](C)N3CCNCC3)C2)C1
InChIInChI=1S/C16H32N4/c1-14(2)20-12-16(13-20)4-7-18(11-16)10-15(3)19-8-5-17-6-9-19/h14-15,17H,4-13H2,1-3H3/t15-/m1/s1
InChIKeyKAZSJEOKBHFOLY-OAHLLOKOSA-N
MW280.46 g/mol
LogP0.70
Rot. Bonds4

About 7-[(2R)-2-piperazin-1-ylpropyl]-2-propan-2-yl-2,7-diazaspiro[3.4]octane

7-[(2R)-2-piperazin-1-ylpropyl]-2-propan-2-yl-2,7-diazaspiro[3.4]octane (PubChem CID 135213285) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 7-[(2R)-2-piperazin-1-ylpropyl]-2-propan-2-yl-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name7-[(2R)-2-piperazin-1-ylpropyl]-2-propan-2-yl-2,7-diazaspiro[3.4]octane
PubChem CID135213285
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name7-[(2R)-2-piperazin-1-ylpropyl]-2-propan-2-yl-2,7-diazaspiro[3.4]octane
SMILESCC(C)N1CC2(CCN(C[C@@H](C)N3CCNCC3)C2)C1
InChIInChI=1S/C16H32N4/c1-14(2)20-12-16(13-20)4-7-18(11-16)10-15(3)19-8-5-17-6-9-19/h14-15,17H,4-13H2,1-3H3/t15-/m1/s1
InChIKeyKAZSJEOKBHFOLY-OAHLLOKOSA-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 7-[(2R)-2-piperazin-1-ylpropyl]-2-propan-2-yl-2,7-diazaspiro[3.4]octane?
The IUPAC name of 7-[(2R)-2-piperazin-1-ylpropyl]-2-propan-2-yl-2,7-diazaspiro[3.4]octane (CID 135213285) is 7-[(2R)-2-piperazin-1-ylpropyl]-2-propan-2-yl-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 7-[(2R)-2-piperazin-1-ylpropyl]-2-propan-2-yl-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 7-[(2R)-2-piperazin-1-ylpropyl]-2-propan-2-yl-2,7-diazaspiro[3.4]octane is CC(C)N1CC2(CCN(C[C@@H](C)N3CCNCC3)C2)C1.
What is the InChIKey of 7-[(2R)-2-piperazin-1-ylpropyl]-2-propan-2-yl-2,7-diazaspiro[3.4]octane?
The InChIKey is KAZSJEOKBHFOLY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H32N4/c1-14(2)20-12-16(13-20)4-7-18(11-16)10-15(3)19-8-5-17-6-9-19/h14-15,17H,4-13H2,1-3H3/t15-/m1/s1.
What are the key properties of 7-[(2R)-2-piperazin-1-ylpropyl]-2-propan-2-yl-2,7-diazaspiro[3.4]octane?
7-[(2R)-2-piperazin-1-ylpropyl]-2-propan-2-yl-2,7-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 7-[(2R)-2-piperazin-1-ylpropyl]-2-propan-2-yl-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 135213285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).