3-[3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]piperidine-2,6-dione

C26H37N3O2 — CID 171406919

IUPAC3-[3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(N3CC4(CCN(CCC5CCCCC5)CC4)C3)c2)C(=O)N1
InChIInChI=1S/C26H37N3O2/c30-24-10-9-23(25(31)27-24)21-7-4-8-22(17-21)29-18-26(19-29)12-15-28(16-13-26)14-11-20-5-2-1-3-6-20/h4,7-8,17,20,23H,1-3,5-6,9-16,18-19H2,(H,27,30,31)
InChIKeyCVBPTJKYMHJCNG-UHFFFAOYSA-N
MW423.60 g/mol
LogP4.08
Rot. Bonds5

About 3-[3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]piperidine-2,6-dione

3-[3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]piperidine-2,6-dione (PubChem CID 171406919) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 3-[3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]piperidine-2,6-dione
PubChem CID171406919
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name3-[3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(N3CC4(CCN(CCC5CCCCC5)CC4)C3)c2)C(=O)N1
InChIInChI=1S/C26H37N3O2/c30-24-10-9-23(25(31)27-24)21-7-4-8-22(17-21)29-18-26(19-29)12-15-28(16-13-26)14-11-20-5-2-1-3-6-20/h4,7-8,17,20,23H,1-3,5-6,9-16,18-19H2,(H,27,30,31)
InChIKeyCVBPTJKYMHJCNG-UHFFFAOYSA-N
XLogP4.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[3-[9-(2-aminoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione
CID 177052731
3-[3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 177052114
3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione
CID 170979872
3-[3-[4-(3-hydroxypropyl)piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 170325392
3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-3,5-difluorophenyl]piperidine-2,6-dione
CID 177065318
tert-butyl 6-[3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 170979336
ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione
CID 177363109
molecular hydrogen;piperidin-4-amine;3-[3-[3-(piperidine-4-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]phenyl]piperidine-2,6-dione;sulfanol;hydrate
CID 177052955
3-[6-[4-(4-cyclohexylbutyl)piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 175632297
3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione
CID 171406546
tert-butyl 2-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 170979463
1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720

Frequently Asked Questions

What is the IUPAC name of 3-[3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]piperidine-2,6-dione (CID 171406919) is 3-[3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]piperidine-2,6-dione is O=C1CCC(c2cccc(N3CC4(CCN(CCC5CCCCC5)CC4)C3)c2)C(=O)N1.
What is the InChIKey of 3-[3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]piperidine-2,6-dione?
The InChIKey is CVBPTJKYMHJCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c30-24-10-9-23(25(31)27-24)21-7-4-8-22(17-21)29-18-26(19-29)12-15-28(16-13-26)14-11-20-5-2-1-3-6-20/h4,7-8,17,20,23H,1-3,5-6,9-16,18-19H2,(H,27,30,31).
What are the key properties of 3-[3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]piperidine-2,6-dione?
3-[3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]piperidine-2,6-dione has a molecular weight of 423.60 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171406919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).