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

C28H41N3O2 — CID 177052114

IUPAC3-[3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(N3CCC(C4CCN(CC5CCCCC5)CC4)CC3)c2)C(=O)N1
InChIInChI=1S/C28H41N3O2/c32-27-10-9-26(28(33)29-27)24-7-4-8-25(19-24)31-17-13-23(14-18-31)22-11-15-30(16-12-22)20-21-5-2-1-3-6-21/h4,7-8,19,21-23,26H,1-3,5-6,9-18,20H2,(H,29,32,33)
InChIKeyRVLBNWJJANTZIH-UHFFFAOYSA-N
MW451.66 g/mol
LogP4.72
Rot. Bonds5

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

3-[3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione (PubChem CID 177052114) has the molecular formula C28H41N3O2 and a molecular weight of 451.66 g/mol. Its IUPAC name is 3-[3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione
PubChem CID177052114
Molecular FormulaC28H41N3O2
Molecular Weight451.66 g/mol
Exact Mass451.32
IUPAC Name3-[3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(N3CCC(C4CCN(CC5CCCCC5)CC4)CC3)c2)C(=O)N1
InChIInChI=1S/C28H41N3O2/c32-27-10-9-26(28(33)29-27)24-7-4-8-25(19-24)31-17-13-23(14-18-31)22-11-15-30(16-12-22)20-21-5-2-1-3-6-21/h4,7-8,19,21-23,26H,1-3,5-6,9-18,20H2,(H,29,32,33)
InChIKeyRVLBNWJJANTZIH-UHFFFAOYSA-N
XLogP4.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.66
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

3-[3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]piperidine-2,6-dione
CID 171406919
3-[3-[4-(3-hydroxypropyl)piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 170325392
3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione
CID 171406546
3-[3-[9-(2-aminoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione
CID 177052731
3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione
CID 170979872
ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione
CID 177363109
3-[4-[4-(cyclohexylmethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 171406493
3-[4-[4-[(4-aminocyclohexyl)methyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 171598542
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-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-4-pyridinyl]piperidine-2,6-dione
CID 166113557
3-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 172591430

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione (CID 177052114) is 3-[3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione is O=C1CCC(c2cccc(N3CCC(C4CCN(CC5CCCCC5)CC4)CC3)c2)C(=O)N1.
What is the InChIKey of 3-[3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione?
The InChIKey is RVLBNWJJANTZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O2/c32-27-10-9-26(28(33)29-27)24-7-4-8-25(19-24)31-17-13-23(14-18-31)22-11-15-30(16-12-22)20-21-5-2-1-3-6-21/h4,7-8,19,21-23,26H,1-3,5-6,9-18,20H2,(H,29,32,33).
What are the key properties of 3-[3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione?
3-[3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione has a molecular weight of 451.66 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 177052114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).