1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide

C20H19ClF2N2O2 — CID 113008999

IUPAC1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19ClF2N2O2/c21-15-3-1-13(2-4-15)11-19(26)25-9-7-14(8-10-25)20(27)24-16-5-6-17(22)18(23)12-16/h1-6,12,14H,7-11H2,(H,24,27)
InChIKeySDAOJEXBLCCXCM-UHFFFAOYSA-N
MW392.83 g/mol
LogP4.04
Rot. Bonds4

About 1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide

1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide (PubChem CID 113008999) has the molecular formula C20H19ClF2N2O2 and a molecular weight of 392.83 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide
PubChem CID113008999
Molecular FormulaC20H19ClF2N2O2
Molecular Weight392.83 g/mol
Exact Mass392.11
IUPAC Name1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19ClF2N2O2/c21-15-3-1-13(2-4-15)11-19(26)25-9-7-14(8-10-25)20(27)24-16-5-6-17(22)18(23)12-16/h1-6,12,14H,7-11H2,(H,24,27)
InChIKeySDAOJEXBLCCXCM-UHFFFAOYSA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.83
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-aminophenyl)acetyl]-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 119787390
1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 113006490
N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113007926
N-(3,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31786532
1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119325792
N-(3,4-difluorophenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113008986
N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006448
1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone
CID 110477076
1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 78803404
N-(3-chloro-4-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31789168
4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 66651371
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008337

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide (CID 113008999) is 1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide is O=C(Nc1ccc(F)c(F)c1)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide?
The InChIKey is SDAOJEXBLCCXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N2O2/c21-15-3-1-13(2-4-15)11-19(26)25-9-7-14(8-10-25)20(27)24-16-5-6-17(22)18(23)12-16/h1-6,12,14H,7-11H2,(H,24,27).
What are the key properties of 1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide?
1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide has a molecular weight of 392.83 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 113008999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).