4-(4-phenylpiperazin-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one

C19H24N2O2 — CID 3305103

IUPAC4-(4-phenylpiperazin-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C(N2CCN(c3ccccc3)CC2)C2(CCCCC2)O1
InChIInChI=1S/C19H24N2O2/c22-18-15-17(19(23-18)9-5-2-6-10-19)21-13-11-20(12-14-21)16-7-3-1-4-8-16/h1,3-4,7-8,15H,2,5-6,9-14H2
InChIKeyIVCHAUIACUZTCH-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.95
Rot. Bonds2

About 4-(4-phenylpiperazin-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one

4-(4-phenylpiperazin-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 3305103) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-(4-phenylpiperazin-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-(4-phenylpiperazin-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID3305103
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-(4-phenylpiperazin-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C(N2CCN(c3ccccc3)CC2)C2(CCCCC2)O1
InChIInChI=1S/C19H24N2O2/c22-18-15-17(19(23-18)9-5-2-6-10-19)21-13-11-20(12-14-21)16-7-3-1-4-8-16/h1,3-4,7-8,15H,2,5-6,9-14H2
InChIKeyIVCHAUIACUZTCH-UHFFFAOYSA-N
XLogP2.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperazin-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-(4-phenylpiperazin-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one (CID 3305103) is 4-(4-phenylpiperazin-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-(4-phenylpiperazin-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-(4-phenylpiperazin-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one is O=C1C=C(N2CCN(c3ccccc3)CC2)C2(CCCCC2)O1.
What is the InChIKey of 4-(4-phenylpiperazin-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is IVCHAUIACUZTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-18-15-17(19(23-18)9-5-2-6-10-19)21-13-11-20(12-14-21)16-7-3-1-4-8-16/h1,3-4,7-8,15H,2,5-6,9-14H2.
What are the key properties of 4-(4-phenylpiperazin-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one?
4-(4-phenylpiperazin-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 312.41 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperazin-1-yl)-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 3305103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).