2-[(3-oxo-2-phenylpiperazin-1-yl)methyl]-2-azaspiro[4.4]nonan-1-one

C19H25N3O2 — CID 167795573

IUPAC2-[(3-oxo-2-phenylpiperazin-1-yl)methyl]-2-azaspiro[4.4]nonan-1-one
SMILESO=C1NCCN(CN2CCC3(CCCC3)C2=O)C1c1ccccc1
InChIInChI=1S/C19H25N3O2/c23-17-16(15-6-2-1-3-7-15)21(13-11-20-17)14-22-12-10-19(18(22)24)8-4-5-9-19/h1-3,6-7,16H,4-5,8-14H2,(H,20,23)
InChIKeyROHSFWZTFFWXEY-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.91
Rot. Bonds3

About 2-[(3-oxo-2-phenylpiperazin-1-yl)methyl]-2-azaspiro[4.4]nonan-1-one

2-[(3-oxo-2-phenylpiperazin-1-yl)methyl]-2-azaspiro[4.4]nonan-1-one (PubChem CID 167795573) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[(3-oxo-2-phenylpiperazin-1-yl)methyl]-2-azaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-[(3-oxo-2-phenylpiperazin-1-yl)methyl]-2-azaspiro[4.4]nonan-1-one
PubChem CID167795573
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-[(3-oxo-2-phenylpiperazin-1-yl)methyl]-2-azaspiro[4.4]nonan-1-one
SMILESO=C1NCCN(CN2CCC3(CCCC3)C2=O)C1c1ccccc1
InChIInChI=1S/C19H25N3O2/c23-17-16(15-6-2-1-3-7-15)21(13-11-20-17)14-22-12-10-19(18(22)24)8-4-5-9-19/h1-3,6-7,16H,4-5,8-14H2,(H,20,23)
InChIKeyROHSFWZTFFWXEY-UHFFFAOYSA-N
XLogP1.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-2-phenylpiperazin-1-yl)methyl]-2-azaspiro[4.4]nonan-1-one?
The IUPAC name of 2-[(3-oxo-2-phenylpiperazin-1-yl)methyl]-2-azaspiro[4.4]nonan-1-one (CID 167795573) is 2-[(3-oxo-2-phenylpiperazin-1-yl)methyl]-2-azaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-[(3-oxo-2-phenylpiperazin-1-yl)methyl]-2-azaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-[(3-oxo-2-phenylpiperazin-1-yl)methyl]-2-azaspiro[4.4]nonan-1-one is O=C1NCCN(CN2CCC3(CCCC3)C2=O)C1c1ccccc1.
What is the InChIKey of 2-[(3-oxo-2-phenylpiperazin-1-yl)methyl]-2-azaspiro[4.4]nonan-1-one?
The InChIKey is ROHSFWZTFFWXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-17-16(15-6-2-1-3-7-15)21(13-11-20-17)14-22-12-10-19(18(22)24)8-4-5-9-19/h1-3,6-7,16H,4-5,8-14H2,(H,20,23).
What are the key properties of 2-[(3-oxo-2-phenylpiperazin-1-yl)methyl]-2-azaspiro[4.4]nonan-1-one?
2-[(3-oxo-2-phenylpiperazin-1-yl)methyl]-2-azaspiro[4.4]nonan-1-one has a molecular weight of 327.43 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-2-phenylpiperazin-1-yl)methyl]-2-azaspiro[4.4]nonan-1-one is sourced from PubChem (CID 167795573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).