1-[(2-fluorophenyl)methylsulfonyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide

C22H27FN2O5S2 — CID 133165622

IUPAC1-[(2-fluorophenyl)methylsulfonyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C22H27FN2O5S2/c1-16(17-7-9-20(10-8-17)31(2,27)28)24-22(26)18-11-13-25(14-12-18)32(29,30)15-19-5-3-4-6-21(19)23/h3-10,16,18H,11-15H2,1-2H3,(H,24,26)
InChIKeyXDKFIVLEZXPJQP-UHFFFAOYSA-N
MW482.60 g/mol
LogP2.65
Rot. Bonds7

About 1-[(2-fluorophenyl)methylsulfonyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide

1-[(2-fluorophenyl)methylsulfonyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 133165622) has the molecular formula C22H27FN2O5S2 and a molecular weight of 482.60 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methylsulfonyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methylsulfonyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID133165622
Molecular FormulaC22H27FN2O5S2
Molecular Weight482.60 g/mol
Exact Mass482.13
IUPAC Name1-[(2-fluorophenyl)methylsulfonyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C22H27FN2O5S2/c1-16(17-7-9-20(10-8-17)31(2,27)28)24-22(26)18-11-13-25(14-12-18)32(29,30)15-19-5-3-4-6-21(19)23/h3-10,16,18H,11-15H2,1-2H3,(H,24,26)
InChIKeyXDKFIVLEZXPJQP-UHFFFAOYSA-N
XLogP2.65
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 132612610
1-[(2-fluorophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 92802478
1-[(2-fluorophenyl)methylsulfonyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53283463
1-[(2-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92802369
1-[(2-methylphenyl)methylsulfonyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 92802456
1-(benzenesulfonyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 26957904
1-[(2-fluorophenyl)methylsulfonyl]-N-[(S)-(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 92675568
1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 43910264
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-1-[(2-chloro-6-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92647044
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 92673376
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 36687848
1-[(2-fluorophenyl)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
CID 94014212

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methylsulfonyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methylsulfonyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide (CID 133165622) is 1-[(2-fluorophenyl)methylsulfonyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methylsulfonyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methylsulfonyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide is CC(NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-[(2-fluorophenyl)methylsulfonyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is XDKFIVLEZXPJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O5S2/c1-16(17-7-9-20(10-8-17)31(2,27)28)24-22(26)18-11-13-25(14-12-18)32(29,30)15-19-5-3-4-6-21(19)23/h3-10,16,18H,11-15H2,1-2H3,(H,24,26).
What are the key properties of 1-[(2-fluorophenyl)methylsulfonyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide?
1-[(2-fluorophenyl)methylsulfonyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 482.60 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methylsulfonyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 133165622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).