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

C23H33N3O2 — CID 171406493

IUPAC3-[4-[4-(cyclohexylmethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(N3CCC(NCC4CCCCC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C23H33N3O2/c27-22-11-10-21(23(28)25-22)18-6-8-20(9-7-18)26-14-12-19(13-15-26)24-16-17-4-2-1-3-5-17/h6-9,17,19,21,24H,1-5,10-16H2,(H,25,27,28)
InChIKeyOIZMJLQKLSPEDZ-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.35
Rot. Bonds5

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

3-[4-[4-(cyclohexylmethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione (PubChem CID 171406493) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 3-[4-[4-(cyclohexylmethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[4-(cyclohexylmethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione
PubChem CID171406493
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name3-[4-[4-(cyclohexylmethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(N3CCC(NCC4CCCCC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C23H33N3O2/c27-22-11-10-21(23(28)25-22)18-6-8-20(9-7-18)26-14-12-19(13-15-26)24-16-17-4-2-1-3-5-17/h6-9,17,19,21,24H,1-5,10-16H2,(H,25,27,28)
InChIKeyOIZMJLQKLSPEDZ-UHFFFAOYSA-N
XLogP3.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid
CID 174225411
3-[4-[3-(ethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione;molecular hydrogen
CID 178116591
3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 170325363
2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride
CID 171820884
3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]piperidine-2,6-dione
CID 178116151
3-[4-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 172630584
3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione
CID 177197826
tert-butyl N-[4-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]carbamate
CID 170737838
3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane
CID 177052728
3-[4-[(3S)-3-[[(3S)-3-fluoropiperidin-1-yl]methyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione
CID 167190159
3-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride
CID 178081993
3-[3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 177052114

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(cyclohexylmethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[4-(cyclohexylmethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione (CID 171406493) is 3-[4-[4-(cyclohexylmethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[4-(cyclohexylmethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[4-(cyclohexylmethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione is O=C1CCC(c2ccc(N3CCC(NCC4CCCCC4)CC3)cc2)C(=O)N1.
What is the InChIKey of 3-[4-[4-(cyclohexylmethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione?
The InChIKey is OIZMJLQKLSPEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c27-22-11-10-21(23(28)25-22)18-6-8-20(9-7-18)26-14-12-19(13-15-26)24-16-17-4-2-1-3-5-17/h6-9,17,19,21,24H,1-5,10-16H2,(H,25,27,28).
What are the key properties of 3-[4-[4-(cyclohexylmethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione?
3-[4-[4-(cyclohexylmethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione has a molecular weight of 383.54 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(cyclohexylmethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171406493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).