8-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione

C15H22N2O2 — CID 114694767

IUPAC8-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CC1=CCNCC1
InChIInChI=1S/C15H22N2O2/c18-13-9-15(5-1-2-6-15)10-14(19)17(13)11-12-3-7-16-8-4-12/h3,16H,1-2,4-11H2
InChIKeyYQIAVRMDHQXREY-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.62
Rot. Bonds2

About 8-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione

8-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 114694767) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 8-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
PubChem CID114694767
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name8-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CC1=CCNCC1
InChIInChI=1S/C15H22N2O2/c18-13-9-15(5-1-2-6-15)10-14(19)17(13)11-12-3-7-16-8-4-12/h3,16H,1-2,4-11H2
InChIKeyYQIAVRMDHQXREY-UHFFFAOYSA-N
XLogP1.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.62
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

3-(1H-1,2,4-triazol-5-ylmethyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 54880588
8-(2H-tetrazol-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 60976124
3-ethyl-3-azaspiro[5.5]undecane-2,4-dione
CID 19814204
3-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 60977456
3-ethyl-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 20622599
1-(1,2,3,6-tetrahydropyridin-4-ylmethyl)azepane
CID 114694805
2-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,2-thiazolidine 1,1-dioxide
CID 114694807
3-[(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)methyl]benzonitrile
CID 60976545
8-[(3-bromophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione
CID 60976541
8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 62540613
2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid
CID 43804746
8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione
CID 11746691

Frequently Asked Questions

What is the IUPAC name of 8-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione (CID 114694767) is 8-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1CC1=CCNCC1.
What is the InChIKey of 8-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is YQIAVRMDHQXREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-13-9-15(5-1-2-6-15)10-14(19)17(13)11-12-3-7-16-8-4-12/h3,16H,1-2,4-11H2.
What are the key properties of 8-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione?
8-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 262.35 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 114694767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).