5-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-5-phenylpiperidin-2-one

C23H27BrN2O — CID 44580939

IUPAC5-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-5-phenylpiperidin-2-one
SMILESO=C1CCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)CN1
InChIInChI=1S/C23H27BrN2O/c24-21-8-6-18(7-9-21)16-26-14-11-20(12-15-26)23(13-10-22(27)25-17-23)19-4-2-1-3-5-19/h1-9,20H,10-17H2,(H,25,27)
InChIKeyRPIHNHCHUCLQRX-UHFFFAOYSA-N
MW427.39 g/mol
LogP4.51
Rot. Bonds4

About 5-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-5-phenylpiperidin-2-one

5-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-5-phenylpiperidin-2-one (PubChem CID 44580939) has the molecular formula C23H27BrN2O and a molecular weight of 427.39 g/mol. Its IUPAC name is 5-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-5-phenylpiperidin-2-one.

Molecular Properties

Compound Name5-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-5-phenylpiperidin-2-one
PubChem CID44580939
Molecular FormulaC23H27BrN2O
Molecular Weight427.39 g/mol
Exact Mass426.13
IUPAC Name5-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-5-phenylpiperidin-2-one
SMILESO=C1CCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)CN1
InChIInChI=1S/C23H27BrN2O/c24-21-8-6-18(7-9-21)16-26-14-11-20(12-15-26)23(13-10-22(27)25-17-23)19-4-2-1-3-5-19/h1-9,20H,10-17H2,(H,25,27)
InChIKeyRPIHNHCHUCLQRX-UHFFFAOYSA-N
XLogP4.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-5-phenylpiperidin-2-one?
The IUPAC name of 5-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-5-phenylpiperidin-2-one (CID 44580939) is 5-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-5-phenylpiperidin-2-one.
What is the SMILES notation for 5-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-5-phenylpiperidin-2-one?
The canonical SMILES for 5-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-5-phenylpiperidin-2-one is O=C1CCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)CN1.
What is the InChIKey of 5-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-5-phenylpiperidin-2-one?
The InChIKey is RPIHNHCHUCLQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN2O/c24-21-8-6-18(7-9-21)16-26-14-11-20(12-15-26)23(13-10-22(27)25-17-23)19-4-2-1-3-5-19/h1-9,20H,10-17H2,(H,25,27).
What are the key properties of 5-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-5-phenylpiperidin-2-one?
5-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-5-phenylpiperidin-2-one has a molecular weight of 427.39 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-5-phenylpiperidin-2-one is sourced from PubChem (CID 44580939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).