8-[2-(4-phenylpiperidin-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione

C22H30N2O2 — CID 11348796

IUPAC8-[2-(4-phenylpiperidin-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H30N2O2/c25-20-16-22(10-4-5-11-22)17-21(26)24(20)15-14-23-12-8-19(9-13-23)18-6-2-1-3-7-18/h1-3,6-7,19H,4-5,8-17H2
InChIKeyYQHUEAFWSKZKDZ-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.58
Rot. Bonds4

About 8-[2-(4-phenylpiperidin-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione

8-[2-(4-phenylpiperidin-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 11348796) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 8-[2-(4-phenylpiperidin-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[2-(4-phenylpiperidin-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID11348796
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name8-[2-(4-phenylpiperidin-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H30N2O2/c25-20-16-22(10-4-5-11-22)17-21(26)24(20)15-14-23-12-8-19(9-13-23)18-6-2-1-3-7-18/h1-3,6-7,19H,4-5,8-17H2
InChIKeyYQHUEAFWSKZKDZ-UHFFFAOYSA-N
XLogP3.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Glutarimide, N-ethyl-3-phenyl-
CID 3043002
Cinperene
CID 6433620
(1-Phenylcyclohexyl)-1-piperidinylmethanone
CID 2197578
Piperidine, 1-((1-phenylcyclopentyl)carbonyl)-
CID 778763
Glutarimide, N-methyl-3-phenyl-
CID 3043001
3-Phenyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 6467280
8-{2-[4-(2,5-Dichloro-phenyl)-piperidin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 9845172
(4-Cyclohexyl-piperazin-1-yl)-(6-phenethyl-6-aza-spiro[2.5]oct-1-yl)-methanone
CID 25118476
1-(3-Cyclohexen-1-ylmethyl)-4-(phenylacetyl)piperazine
CID 2881340
4-Phenyl-1-(4-prop-2-enylpiperazin-1-yl)butan-1-one
CID 6468754
8-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione
CID 10428236
8-{2-[4-(2-Chloro-phenyl)-piperidin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 11200086

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-phenylpiperidin-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[2-(4-phenylpiperidin-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione (CID 11348796) is 8-[2-(4-phenylpiperidin-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[2-(4-phenylpiperidin-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[2-(4-phenylpiperidin-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2)CC1.
What is the InChIKey of 8-[2-(4-phenylpiperidin-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is YQHUEAFWSKZKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c25-20-16-22(10-4-5-11-22)17-21(26)24(20)15-14-23-12-8-19(9-13-23)18-6-2-1-3-7-18/h1-3,6-7,19H,4-5,8-17H2.
What are the key properties of 8-[2-(4-phenylpiperidin-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[2-(4-phenylpiperidin-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 354.49 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-phenylpiperidin-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 11348796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).