N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide

C23H25BrF2N2O2 — CID 55761312

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C23H25BrF2N2O2/c1-2-27(15-18-13-19(24)7-10-21(18)26)23(30)17-4-3-11-28(14-17)22(29)12-16-5-8-20(25)9-6-16/h5-10,13,17H,2-4,11-12,14-15H2,1H3
InChIKeyMMXKZOCFJCOYOD-UHFFFAOYSA-N
MW479.37 g/mol
LogP4.56
Rot. Bonds6

About N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide (PubChem CID 55761312) has the molecular formula C23H25BrF2N2O2 and a molecular weight of 479.37 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
PubChem CID55761312
Molecular FormulaC23H25BrF2N2O2
Molecular Weight479.37 g/mol
Exact Mass478.11
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C23H25BrF2N2O2/c1-2-27(15-18-13-19(24)7-10-21(18)26)23(30)17-4-3-11-28(14-17)22(29)12-16-5-8-20(25)9-6-16/h5-10,13,17H,2-4,11-12,14-15H2,1H3
InChIKeyMMXKZOCFJCOYOD-UHFFFAOYSA-N
XLogP4.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.37
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 94028091
N-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide
CID 55758241
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55629106
tert-butyl 3-[ethyl-[(4-fluorophenyl)methyl]carbamoyl]piperidine-1-carboxylate
CID 71635208
cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 124683545
(3S)-1-[2-(3-bromo-4-fluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 97323823
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride
CID 119312649
1-[3-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55739986
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide
CID 91410350
1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 42695569

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide (CID 55761312) is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide is CCN(Cc1cc(Br)ccc1F)C(=O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
The InChIKey is MMXKZOCFJCOYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrF2N2O2/c1-2-27(15-18-13-19(24)7-10-21(18)26)23(30)17-4-3-11-28(14-17)22(29)12-16-5-8-20(25)9-6-16/h5-10,13,17H,2-4,11-12,14-15H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide has a molecular weight of 479.37 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 55761312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).