3-[4-[2-(4-oxocyclohexyl)ethyl]phenyl]piperidine-2,6-dione

C19H23NO3 — CID 170325130

IUPAC3-[4-[2-(4-oxocyclohexyl)ethyl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(CCc2ccc(C3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C19H23NO3/c21-16-9-5-14(6-10-16)2-1-13-3-7-15(8-4-13)17-11-12-18(22)20-19(17)23/h3-4,7-8,14,17H,1-2,5-6,9-12H2,(H,20,22,23)
InChIKeyPJMMMWIUPGSYMT-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.90
Rot. Bonds4

About 3-[4-[2-(4-oxocyclohexyl)ethyl]phenyl]piperidine-2,6-dione

3-[4-[2-(4-oxocyclohexyl)ethyl]phenyl]piperidine-2,6-dione (PubChem CID 170325130) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[4-[2-(4-oxocyclohexyl)ethyl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[2-(4-oxocyclohexyl)ethyl]phenyl]piperidine-2,6-dione
PubChem CID170325130
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3-[4-[2-(4-oxocyclohexyl)ethyl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(CCc2ccc(C3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C19H23NO3/c21-16-9-5-14(6-10-16)2-1-13-3-7-15(8-4-13)17-11-12-18(22)20-19(17)23/h3-4,7-8,14,17H,1-2,5-6,9-12H2,(H,20,22,23)
InChIKeyPJMMMWIUPGSYMT-UHFFFAOYSA-N
XLogP2.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione
CID 171406546
3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal
CID 171098619
3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione
CID 166947876
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
4-(2-phenylethyl)cyclohexan-1-one
CID 18980498
3-[4-[2-[4-(4-aminocyclohexyl)piperazin-1-yl]ethyl]phenyl]piperidine-2,6-dione
CID 171652178
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
4-[2-(4-oxocyclohexyl)ethyl]benzonitrile
CID 19739318
3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione
CID 170129880
3-[4-(azetidin-3-ylmethylamino)phenyl]piperidine-2,6-dione
CID 178015429
3-(4-hexoxyphenyl)piperidine-2,6-dione
CID 172584857
3-[4-(5-hydroxypentoxy)phenyl]piperidine-2,6-dione
CID 172584861

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-oxocyclohexyl)ethyl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[2-(4-oxocyclohexyl)ethyl]phenyl]piperidine-2,6-dione (CID 170325130) is 3-[4-[2-(4-oxocyclohexyl)ethyl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[2-(4-oxocyclohexyl)ethyl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[2-(4-oxocyclohexyl)ethyl]phenyl]piperidine-2,6-dione is O=C1CCC(CCc2ccc(C3CCC(=O)NC3=O)cc2)CC1.
What is the InChIKey of 3-[4-[2-(4-oxocyclohexyl)ethyl]phenyl]piperidine-2,6-dione?
The InChIKey is PJMMMWIUPGSYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c21-16-9-5-14(6-10-16)2-1-13-3-7-15(8-4-13)17-11-12-18(22)20-19(17)23/h3-4,7-8,14,17H,1-2,5-6,9-12H2,(H,20,22,23).
What are the key properties of 3-[4-[2-(4-oxocyclohexyl)ethyl]phenyl]piperidine-2,6-dione?
3-[4-[2-(4-oxocyclohexyl)ethyl]phenyl]piperidine-2,6-dione has a molecular weight of 313.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-oxocyclohexyl)ethyl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 170325130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).