9-(1-phenylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione

C16H20N2O2 — CID 64957690

IUPAC9-(1-phenylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC(c1ccccc1)N1CC(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H20N2O2/c1-12(13-7-3-2-4-8-13)18-11-14(19)17-16(15(18)20)9-5-6-10-16/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,17,19)
InChIKeyKCHSKJFAAGNLAQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.02
Rot. Bonds2

About 9-(1-phenylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione

9-(1-phenylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64957690) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 9-(1-phenylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-(1-phenylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64957690
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name9-(1-phenylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC(c1ccccc1)N1CC(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H20N2O2/c1-12(13-7-3-2-4-8-13)18-11-14(19)17-16(15(18)20)9-5-6-10-16/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,17,19)
InChIKeyKCHSKJFAAGNLAQ-UHFFFAOYSA-N
XLogP2.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(1-phenylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-(1-phenylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64957690) is 9-(1-phenylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-(1-phenylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-(1-phenylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione is CC(c1ccccc1)N1CC(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 9-(1-phenylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is KCHSKJFAAGNLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(13-7-3-2-4-8-13)18-11-14(19)17-16(15(18)20)9-5-6-10-16/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,17,19).
What are the key properties of 9-(1-phenylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
9-(1-phenylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 272.35 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-phenylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64957690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).