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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Related Compounds

3-[4-[2-(4-oxocyclohexyl)ethyl]phenyl]piperidine-2,6-dione
CID 170325130
3-[3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 177052114
tert-butyl N-[4-[2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]methyl]piperidin-1-yl]ethyl]phenyl]carbamate
CID 177198205
3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal
CID 171098619
3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione
CID 170129880
3-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 172591430
3-[4-[2-[4-(4-aminocyclohexyl)piperazin-1-yl]ethyl]phenyl]piperidine-2,6-dione
CID 171652178
3-[4-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 172630584
3-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride
CID 178081993
3-[4-[4-[(4-aminocyclohexyl)methyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 171598542
3-[4-[4-(cyclohexylmethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 171406493
3-[4-[(3S)-3-[[(3S)-3-fluoropiperidin-1-yl]methyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione
CID 167190159

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).