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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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).