3-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N,N-dimethylbenzamide

C23H28BrFN2O — CID 10138576

IUPAC3-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CCN2CCC(Cc3cc(F)ccc3Br)CC2)c1
InChIInChI=1S/C23H28BrFN2O/c1-26(2)23(28)19-5-3-4-17(14-19)8-11-27-12-9-18(10-13-27)15-20-16-21(25)6-7-22(20)24/h3-7,14,16,18H,8-13,15H2,1-2H3
InChIKeyNMIYJAMPKYMTEX-UHFFFAOYSA-N
MW447.39 g/mol
LogP4.79
Rot. Bonds6

About 3-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N,N-dimethylbenzamide

3-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N,N-dimethylbenzamide (PubChem CID 10138576) has the molecular formula C23H28BrFN2O and a molecular weight of 447.39 g/mol. Its IUPAC name is 3-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N,N-dimethylbenzamide
PubChem CID10138576
Molecular FormulaC23H28BrFN2O
Molecular Weight447.39 g/mol
Exact Mass446.14
IUPAC Name3-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CCN2CCC(Cc3cc(F)ccc3Br)CC2)c1
InChIInChI=1S/C23H28BrFN2O/c1-26(2)23(28)19-5-3-4-17(14-19)8-11-27-12-9-18(10-13-27)15-20-16-21(25)6-7-22(20)24/h3-7,14,16,18H,8-13,15H2,1-2H3
InChIKeyNMIYJAMPKYMTEX-UHFFFAOYSA-N
XLogP4.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]ethyl]benzamide
CID 10159820
3-[2-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]ethyl]benzamide
CID 10115412
3-[2-[4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperidin-1-yl]ethyl]-5-chloro-N,N-dimethylbenzamide
CID 87796340
1-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-oxopyridine-4-carboxamide
CID 72922458
4-[2-[4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperidin-1-yl]ethyl]-2-chloro-N,N-dimethylbenzamide
CID 22675360
N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide
CID 72847651
4-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(3-ethoxyphenyl)ethyl]piperidine
CID 22675311
N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 42528622
N-[4-[3-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-N-ethyl-2-hydroxyacetamide
CID 23029052
4-[(2-bromo-5-fluorophenyl)methyl]-1-[2-[4-(dimethylsulfamoylamino)cyclohexyl]ethyl]piperidine
CID 23028921
N-[3-[2-[4-[(2-bromo-5-methylphenyl)methyl]piperidin-1-yl]ethyl]phenyl]methanesulfonamide
CID 59105364
1-benzyl-4-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-1,3-diazinan-2-one
CID 23030029

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N,N-dimethylbenzamide (CID 10138576) is 3-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(CCN2CCC(Cc3cc(F)ccc3Br)CC2)c1.
What is the InChIKey of 3-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N,N-dimethylbenzamide?
The InChIKey is NMIYJAMPKYMTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrFN2O/c1-26(2)23(28)19-5-3-4-17(14-19)8-11-27-12-9-18(10-13-27)15-20-16-21(25)6-7-22(20)24/h3-7,14,16,18H,8-13,15H2,1-2H3.
What are the key properties of 3-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N,N-dimethylbenzamide?
3-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N,N-dimethylbenzamide has a molecular weight of 447.39 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 10138576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).