3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione

C25H36N2O2 — CID 171406546

IUPAC3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(CCC3CCN(CC4CCCCC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C25H36N2O2/c28-24-13-12-23(25(29)26-24)22-10-8-19(9-11-22)6-7-20-14-16-27(17-15-20)18-21-4-2-1-3-5-21/h8-11,20-21,23H,1-7,12-18H2,(H,26,28,29)
InChIKeyFIOWKJFCDMFNHI-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.43
Rot. Bonds6

About 3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione

3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione (PubChem CID 171406546) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione
PubChem CID171406546
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Name3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(CCC3CCN(CC4CCCCC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C25H36N2O2/c28-24-13-12-23(25(29)26-24)22-10-8-19(9-11-22)6-7-20-14-16-27(17-15-20)18-21-4-2-1-3-5-21/h8-11,20-21,23H,1-7,12-18H2,(H,26,28,29)
InChIKeyFIOWKJFCDMFNHI-UHFFFAOYSA-N
XLogP4.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione (CID 171406546) is 3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione is O=C1CCC(c2ccc(CCC3CCN(CC4CCCCC4)CC3)cc2)C(=O)N1.
What is the InChIKey of 3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione?
The InChIKey is FIOWKJFCDMFNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c28-24-13-12-23(25(29)26-24)22-10-8-19(9-11-22)6-7-20-14-16-27(17-15-20)18-21-4-2-1-3-5-21/h8-11,20-21,23H,1-7,12-18H2,(H,26,28,29).
What are the key properties of 3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione?
3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione has a molecular weight of 396.58 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171406546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).