7-[2-[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]-2-oxoethyl]-1,4,10-trioxa-7-azaspiro[4.5]decane-2,3-dione

C21H23ClN2O6 — CID 140524637

IUPAC7-[2-[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]-2-oxoethyl]-1,4,10-trioxa-7-azaspiro[4.5]decane-2,3-dione
SMILESO=C1OC2(CN(CC(=O)N3CCC(/C=C/c4ccccc4Cl)CC3)CCO2)OC1=O
InChIInChI=1S/C21H23ClN2O6/c22-17-4-2-1-3-16(17)6-5-15-7-9-24(10-8-15)18(25)13-23-11-12-28-21(14-23)29-19(26)20(27)30-21/h1-6,15H,7-14H2/b6-5+
InChIKeyNGHFHJROYYLREH-AATRIKPKSA-N
MW434.88 g/mol
LogP1.68
Rot. Bonds4

About 7-[2-[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]-2-oxoethyl]-1,4,10-trioxa-7-azaspiro[4.5]decane-2,3-dione

7-[2-[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]-2-oxoethyl]-1,4,10-trioxa-7-azaspiro[4.5]decane-2,3-dione (PubChem CID 140524637) has the molecular formula C21H23ClN2O6 and a molecular weight of 434.88 g/mol. Its IUPAC name is 7-[2-[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]-2-oxoethyl]-1,4,10-trioxa-7-azaspiro[4.5]decane-2,3-dione.

Molecular Properties

Compound Name7-[2-[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]-2-oxoethyl]-1,4,10-trioxa-7-azaspiro[4.5]decane-2,3-dione
PubChem CID140524637
Molecular FormulaC21H23ClN2O6
Molecular Weight434.88 g/mol
Exact Mass434.12
IUPAC Name7-[2-[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]-2-oxoethyl]-1,4,10-trioxa-7-azaspiro[4.5]decane-2,3-dione
SMILESO=C1OC2(CN(CC(=O)N3CCC(/C=C/c4ccccc4Cl)CC3)CCO2)OC1=O
InChIInChI=1S/C21H23ClN2O6/c22-17-4-2-1-3-16(17)6-5-15-7-9-24(10-8-15)18(25)13-23-11-12-28-21(14-23)29-19(26)20(27)30-21/h1-6,15H,7-14H2/b6-5+
InChIKeyNGHFHJROYYLREH-AATRIKPKSA-N
XLogP1.68
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-[2-[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]-2-oxoethyl]-1,4,10-trioxa-7-azaspiro[4.5]decane-2,3-dione with MolForge

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Related Compounds

1-[4-[(E)-2-(2-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 59686441
1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 59686471
1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;oxalic acid
CID 162339607
1-[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]-2-(1,4-oxazepan-4-yl)ethanone
CID 59686376
3-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide
CID 59686453
1-[4-[(E)-2-(3-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 59686398
1-[4-[(E)-2-(3-chlorophenyl)ethenyl]piperidin-1-yl]-2-piperazin-1-ylethanone
CID 59686392
1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 51003459
1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;oxalic acid
CID 162336897
1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 59686356
4-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide
CID 59686459
1-[4-[2-(4-chlorophenyl)ethenyl]piperidin-1-yl]-2-piperazin-1-ylethanone
CID 67512221

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]-2-oxoethyl]-1,4,10-trioxa-7-azaspiro[4.5]decane-2,3-dione?
The IUPAC name of 7-[2-[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]-2-oxoethyl]-1,4,10-trioxa-7-azaspiro[4.5]decane-2,3-dione (CID 140524637) is 7-[2-[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]-2-oxoethyl]-1,4,10-trioxa-7-azaspiro[4.5]decane-2,3-dione.
What is the SMILES notation for 7-[2-[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]-2-oxoethyl]-1,4,10-trioxa-7-azaspiro[4.5]decane-2,3-dione?
The canonical SMILES for 7-[2-[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]-2-oxoethyl]-1,4,10-trioxa-7-azaspiro[4.5]decane-2,3-dione is O=C1OC2(CN(CC(=O)N3CCC(/C=C/c4ccccc4Cl)CC3)CCO2)OC1=O.
What is the InChIKey of 7-[2-[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]-2-oxoethyl]-1,4,10-trioxa-7-azaspiro[4.5]decane-2,3-dione?
The InChIKey is NGHFHJROYYLREH-AATRIKPKSA-N. The full InChI is InChI=1S/C21H23ClN2O6/c22-17-4-2-1-3-16(17)6-5-15-7-9-24(10-8-15)18(25)13-23-11-12-28-21(14-23)29-19(26)20(27)30-21/h1-6,15H,7-14H2/b6-5+.
What are the key properties of 7-[2-[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]-2-oxoethyl]-1,4,10-trioxa-7-azaspiro[4.5]decane-2,3-dione?
7-[2-[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]-2-oxoethyl]-1,4,10-trioxa-7-azaspiro[4.5]decane-2,3-dione has a molecular weight of 434.88 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-[(E)-2-(2-chlorophenyl)ethenyl]piperidin-1-yl]-2-oxoethyl]-1,4,10-trioxa-7-azaspiro[4.5]decane-2,3-dione is sourced from PubChem (CID 140524637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).