1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide

C23H27ClFN3O4S — CID 100684880

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C23H27ClFN3O4S/c24-19-2-1-18(22(25)15-19)16-27-9-7-17(8-10-27)23(29)26-20-3-5-21(6-4-20)33(30,31)28-11-13-32-14-12-28/h1-6,15,17H,7-14,16H2,(H,26,29)
InChIKeyVNTADXAPDUEPIV-UHFFFAOYSA-N
MW496.00 g/mol
LogP3.35
Rot. Bonds6

About 1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide

1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide (PubChem CID 100684880) has the molecular formula C23H27ClFN3O4S and a molecular weight of 496.00 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
PubChem CID100684880
Molecular FormulaC23H27ClFN3O4S
Molecular Weight496.00 g/mol
Exact Mass495.14
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C23H27ClFN3O4S/c24-19-2-1-18(22(25)15-19)16-27-9-7-17(8-10-27)23(29)26-20-3-5-21(6-4-20)33(30,31)28-11-13-32-14-12-28/h1-6,15,17H,7-14,16H2,(H,26,29)
InChIKeyVNTADXAPDUEPIV-UHFFFAOYSA-N
XLogP3.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.00
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100686065
1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 99826811
1-[(4-chloro-2-fluorophenyl)methyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 100684708
N-(4-bromo-3-chlorophenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100685849
1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 100683953
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923094
1-[(3,4-dichlorophenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 43922106
1-[(2,4-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 38096708
N-(4-bromo-3-methylphenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100684851
N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43924255
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152446

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide (CID 100684880) is 1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The InChIKey is VNTADXAPDUEPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN3O4S/c24-19-2-1-18(22(25)15-19)16-27-9-7-17(8-10-27)23(29)26-20-3-5-21(6-4-20)33(30,31)28-11-13-32-14-12-28/h1-6,15,17H,7-14,16H2,(H,26,29).
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide has a molecular weight of 496.00 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 100684880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).