N-[(3-fluorophenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

C21H25FN2O3S — CID 53283629

IUPACN-[(3-fluorophenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCc2cccc(F)c2)CC1
InChIInChI=1S/C21H25FN2O3S/c1-16-5-2-3-7-19(16)15-28(26,27)24-11-9-18(10-12-24)21(25)23-14-17-6-4-8-20(22)13-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,23,25)
InChIKeyLWXTUDFMLJHLQM-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.99
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

N-[(3-fluorophenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide (PubChem CID 53283629) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
PubChem CID53283629
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC NameN-[(3-fluorophenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCc2cccc(F)c2)CC1
InChIInChI=1S/C21H25FN2O3S/c1-16-5-2-3-7-19(16)15-28(26,27)24-11-9-18(10-12-24)21(25)23-14-17-6-4-8-20(22)13-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,23,25)
InChIKeyLWXTUDFMLJHLQM-UHFFFAOYSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylphenyl)methylsulfonyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 100755461
1-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 28571919
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92676575
1-[(2-chlorophenyl)methylsulfonyl]-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 53283399
1-[(3-bromophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 53284036
(3S)-1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94785162
1-[(4-fluorophenyl)methylsulfonyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 38006078
1-[(2-methylphenyl)methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 92802453
N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802448
N-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642431
1-(4-fluorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 38294766
N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113003928

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide (CID 53283629) is N-[(3-fluorophenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide is Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCc2cccc(F)c2)CC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The InChIKey is LWXTUDFMLJHLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c1-16-5-2-3-7-19(16)15-28(26,27)24-11-9-18(10-12-24)21(25)23-14-17-6-4-8-20(22)13-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,23,25).
What are the key properties of N-[(3-fluorophenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
N-[(3-fluorophenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 53283629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).