2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione

C16H24N2O2 — CID 107489932

IUPAC2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1CCC1=CCNCC1
InChIInChI=1S/C16H24N2O2/c19-14-12-16(7-2-1-3-8-16)15(20)18(14)11-6-13-4-9-17-10-5-13/h4,17H,1-3,5-12H2
InChIKeyNYCRERKWBWJFKR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.01
Rot. Bonds3

About 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione

2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 107489932) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione
PubChem CID107489932
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1CCC1=CCNCC1
InChIInChI=1S/C16H24N2O2/c19-14-12-16(7-2-1-3-8-16)15(20)18(14)11-6-13-4-9-17-10-5-13/h4,17H,1-3,5-12H2
InChIKeyNYCRERKWBWJFKR-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4a,8a-Naphthalenedicarboximide, N-(3-(dimethylamino)propyl)-1,4,5,8-tetrahydro-
CID 27963
8-Cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one
CID 144998270
2-azaspiro[4.5]decan-3-one;N-[(2E)-2-ethenylpenta-2,4-dienyl]butanamide
CID 153333482
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetamide
CID 8187090
N-[[(1S,4S,6S)-3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]cyclohexanecarboxamide
CID 38028829
8-[2-(Cyclohexen-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 65964688
N-[[3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]cyclohexanecarboxamide
CID 85500610
2-[(E)-4-aminobut-2-enyl]-2-azaspiro[4.5]decane-1,3-dione
CID 104462535
2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 104677581
2-[1-(aminomethyl)cyclohexyl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide
CID 106175362
1-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclohexane-1-carboxamide
CID 106828117
2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide
CID 107487477

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione (CID 107489932) is 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione is O=C1CC2(CCCCC2)C(=O)N1CCC1=CCNCC1.
What is the InChIKey of 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is NYCRERKWBWJFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-14-12-16(7-2-1-3-8-16)15(20)18(14)11-6-13-4-9-17-10-5-13/h4,17H,1-3,5-12H2.
What are the key properties of 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione?
2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 276.38 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 107489932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).