2-[4-(piperidine-1-carbonyl)cyclohexyl]isoindole-1,3-dione

C20H24N2O3 — CID 1122069

IUPAC2-[4-(piperidine-1-carbonyl)cyclohexyl]isoindole-1,3-dione
SMILESO=C(C1CCC(N2C(=O)c3ccccc3C2=O)CC1)N1CCCCC1
InChIInChI=1S/C20H24N2O3/c23-18(21-12-4-1-5-13-21)14-8-10-15(11-9-14)22-19(24)16-6-2-3-7-17(16)20(22)25/h2-3,6-7,14-15H,1,4-5,8-13H2
InChIKeyKFZRFBNURVYFEP-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.85
Rot. Bonds2

About 2-[4-(piperidine-1-carbonyl)cyclohexyl]isoindole-1,3-dione

2-[4-(piperidine-1-carbonyl)cyclohexyl]isoindole-1,3-dione (PubChem CID 1122069) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[4-(piperidine-1-carbonyl)cyclohexyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(piperidine-1-carbonyl)cyclohexyl]isoindole-1,3-dione
PubChem CID1122069
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[4-(piperidine-1-carbonyl)cyclohexyl]isoindole-1,3-dione
SMILESO=C(C1CCC(N2C(=O)c3ccccc3C2=O)CC1)N1CCCCC1
InChIInChI=1S/C20H24N2O3/c23-18(21-12-4-1-5-13-21)14-8-10-15(11-9-14)22-19(24)16-6-2-3-7-17(16)20(22)25/h2-3,6-7,14-15H,1,4-5,8-13H2
InChIKeyKFZRFBNURVYFEP-UHFFFAOYSA-N
XLogP2.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.85
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

2-cyclooctyl-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione
CID 42172001
2-cyclodecylisoindole-1,3-dione
CID 123786237
2-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]isoindole-1,3-dione
CID 9319960
cis-(1R,3S)-3-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxylic acid
CID 54550801
4-(1,3-dioxoisoindol-2-yl)cyclohexane-1-carbaldehyde
CID 173386618
ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione
CID 90979720
2-[1-(2-methylbenzoyl)piperidin-4-yl]isoindole-1,3-dione
CID 113082504
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonylethyl]isoindole-1,3-dione
CID 110346889
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
2-[2-[4-(azepan-1-yl)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110667092

Frequently Asked Questions

What is the IUPAC name of 2-[4-(piperidine-1-carbonyl)cyclohexyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(piperidine-1-carbonyl)cyclohexyl]isoindole-1,3-dione (CID 1122069) is 2-[4-(piperidine-1-carbonyl)cyclohexyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(piperidine-1-carbonyl)cyclohexyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(piperidine-1-carbonyl)cyclohexyl]isoindole-1,3-dione is O=C(C1CCC(N2C(=O)c3ccccc3C2=O)CC1)N1CCCCC1.
What is the InChIKey of 2-[4-(piperidine-1-carbonyl)cyclohexyl]isoindole-1,3-dione?
The InChIKey is KFZRFBNURVYFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-18(21-12-4-1-5-13-21)14-8-10-15(11-9-14)22-19(24)16-6-2-3-7-17(16)20(22)25/h2-3,6-7,14-15H,1,4-5,8-13H2.
What are the key properties of 2-[4-(piperidine-1-carbonyl)cyclohexyl]isoindole-1,3-dione?
2-[4-(piperidine-1-carbonyl)cyclohexyl]isoindole-1,3-dione has a molecular weight of 340.42 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(piperidine-1-carbonyl)cyclohexyl]isoindole-1,3-dione is sourced from PubChem (CID 1122069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).