3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-pyridin-4-ylpiperidine-2,6-dione

C22H24BrN3O2 — CID 44581108

IUPAC3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-pyridin-4-ylpiperidine-2,6-dione
SMILESO=C1CCC(c2ccncc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1
InChIInChI=1S/C22H24BrN3O2/c23-19-3-1-16(2-4-19)15-26-13-8-18(9-14-26)22(17-6-11-24-12-7-17)10-5-20(27)25-21(22)28/h1-4,6-7,11-12,18H,5,8-10,13-15H2,(H,25,27,28)
InChIKeyHGHBFHADCALABU-UHFFFAOYSA-N
MW442.36 g/mol
LogP3.43
Rot. Bonds4

About 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-pyridin-4-ylpiperidine-2,6-dione

3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-pyridin-4-ylpiperidine-2,6-dione (PubChem CID 44581108) has the molecular formula C22H24BrN3O2 and a molecular weight of 442.36 g/mol. Its IUPAC name is 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-pyridin-4-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-pyridin-4-ylpiperidine-2,6-dione
PubChem CID44581108
Molecular FormulaC22H24BrN3O2
Molecular Weight442.36 g/mol
Exact Mass441.11
IUPAC Name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-pyridin-4-ylpiperidine-2,6-dione
SMILESO=C1CCC(c2ccncc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1
InChIInChI=1S/C22H24BrN3O2/c23-19-3-1-16(2-4-19)15-26-13-8-18(9-14-26)22(17-6-11-24-12-7-17)10-5-20(27)25-21(22)28/h1-4,6-7,11-12,18H,5,8-10,13-15H2,(H,25,27,28)
InChIKeyHGHBFHADCALABU-UHFFFAOYSA-N
XLogP3.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-pyridin-4-ylpiperidine-2,6-dione?
The IUPAC name of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-pyridin-4-ylpiperidine-2,6-dione (CID 44581108) is 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-pyridin-4-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-pyridin-4-ylpiperidine-2,6-dione?
The canonical SMILES for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-pyridin-4-ylpiperidine-2,6-dione is O=C1CCC(c2ccncc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1.
What is the InChIKey of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-pyridin-4-ylpiperidine-2,6-dione?
The InChIKey is HGHBFHADCALABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O2/c23-19-3-1-16(2-4-19)15-26-13-8-18(9-14-26)22(17-6-11-24-12-7-17)10-5-20(27)25-21(22)28/h1-4,6-7,11-12,18H,5,8-10,13-15H2,(H,25,27,28).
What are the key properties of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-pyridin-4-ylpiperidine-2,6-dione?
3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-pyridin-4-ylpiperidine-2,6-dione has a molecular weight of 442.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-pyridin-4-ylpiperidine-2,6-dione is sourced from PubChem (CID 44581108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).