3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-2-one

C23H27BrN2O — CID 44580960

IUPAC3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-2-one
SMILESO=C1NCCCC1(c1ccccc1)C1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C23H27BrN2O/c24-21-9-7-18(8-10-21)17-26-15-11-20(12-16-26)23(13-4-14-25-22(23)27)19-5-2-1-3-6-19/h1-3,5-10,20H,4,11-17H2,(H,25,27)
InChIKeyKCAXAFVXDVHEEZ-UHFFFAOYSA-N
MW427.39 g/mol
LogP4.51
Rot. Bonds4

About 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-2-one

3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-2-one (PubChem CID 44580960) has the molecular formula C23H27BrN2O and a molecular weight of 427.39 g/mol. Its IUPAC name is 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-2-one.

Molecular Properties

Compound Name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-2-one
PubChem CID44580960
Molecular FormulaC23H27BrN2O
Molecular Weight427.39 g/mol
Exact Mass426.13
IUPAC Name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-2-one
SMILESO=C1NCCCC1(c1ccccc1)C1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C23H27BrN2O/c24-21-9-7-18(8-10-21)17-26-15-11-20(12-16-26)23(13-4-14-25-22(23)27)19-5-2-1-3-6-19/h1-3,5-10,20H,4,11-17H2,(H,25,27)
InChIKeyKCAXAFVXDVHEEZ-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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Related Compounds

Benzetimide
CID 21847
Benzetimide Hydrochloride
CID 21846
Dexetimide
CID 30843
(3R)-3-Phenyl-1'-(phenylmethyl)(3,4'-bipiperidine)-2,6-dione
CID 30844
1''-(4-Bromo-benzyl)-3-phenyl-[3,4'']bipiperidinyl-2,6-dione
CID 14479864
(+)-1''-(4-Bromobenzyl)-3-(2,4-difluorophenyl)-3,4''-bipiperidine-2,6-dione
CID 44593651
N-Benzyl-2-(4-bromo-phenyl)-acetamide
CID 670038
N-(1-Benzyl-piperidin-4-yl)-2-(3-bromo-phenyl)-acetamide
CID 10023073
2-(4-bromophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 821124
2-(3-Bromo-phenyl)-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-acetamide
CID 9887523
2-(3-Bromo-phenyl)-N-[1-(4-iodo-benzyl)-piperidin-4-yl]-acetamide
CID 9936242
(+/-)-1''-(4-Bromobenzyl)-3-phenyl-3,4''-bipiperidine-1-carbaldehyde
CID 24739386

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-2-one?
The IUPAC name of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-2-one (CID 44580960) is 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-2-one.
What is the SMILES notation for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-2-one?
The canonical SMILES for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-2-one is O=C1NCCCC1(c1ccccc1)C1CCN(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-2-one?
The InChIKey is KCAXAFVXDVHEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN2O/c24-21-9-7-18(8-10-21)17-26-15-11-20(12-16-26)23(13-4-14-25-22(23)27)19-5-2-1-3-6-19/h1-3,5-10,20H,4,11-17H2,(H,25,27).
What are the key properties of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-2-one?
3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-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 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-2-one is sourced from PubChem (CID 44580960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).