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

C26H31BrN2O2 — CID 44580858

IUPAC3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenyl-1-propylpiperidine-2,6-dione
SMILESCCCN1C(=O)CCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1=O
InChIInChI=1S/C26H31BrN2O2/c1-2-16-29-24(30)12-15-26(25(29)31,21-6-4-3-5-7-21)22-13-17-28(18-14-22)19-20-8-10-23(27)11-9-20/h3-11,22H,2,12-19H2,1H3
InChIKeyWPTDYRIQRNGYLI-UHFFFAOYSA-N
MW483.45 g/mol
LogP5.16
Rot. Bonds6

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

3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenyl-1-propylpiperidine-2,6-dione (PubChem CID 44580858) has the molecular formula C26H31BrN2O2 and a molecular weight of 483.45 g/mol. Its IUPAC name is 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenyl-1-propylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenyl-1-propylpiperidine-2,6-dione
PubChem CID44580858
Molecular FormulaC26H31BrN2O2
Molecular Weight483.45 g/mol
Exact Mass482.16
IUPAC Name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenyl-1-propylpiperidine-2,6-dione
SMILESCCCN1C(=O)CCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1=O
InChIInChI=1S/C26H31BrN2O2/c1-2-16-29-24(30)12-15-26(25(29)31,21-6-4-3-5-7-21)22-13-17-28(18-14-22)19-20-8-10-23(27)11-9-20/h3-11,22H,2,12-19H2,1H3
InChIKeyWPTDYRIQRNGYLI-UHFFFAOYSA-N
XLogP5.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.45
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-phenyl-1-propylpiperidine-2,6-dione?
The IUPAC name of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenyl-1-propylpiperidine-2,6-dione (CID 44580858) is 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenyl-1-propylpiperidine-2,6-dione.
What is the SMILES notation for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenyl-1-propylpiperidine-2,6-dione?
The canonical SMILES for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenyl-1-propylpiperidine-2,6-dione is CCCN1C(=O)CCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1=O.
What is the InChIKey of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenyl-1-propylpiperidine-2,6-dione?
The InChIKey is WPTDYRIQRNGYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31BrN2O2/c1-2-16-29-24(30)12-15-26(25(29)31,21-6-4-3-5-7-21)22-13-17-28(18-14-22)19-20-8-10-23(27)11-9-20/h3-11,22H,2,12-19H2,1H3.
What are the key properties of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenyl-1-propylpiperidine-2,6-dione?
3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenyl-1-propylpiperidine-2,6-dione has a molecular weight of 483.45 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenyl-1-propylpiperidine-2,6-dione is sourced from PubChem (CID 44580858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).