1-[(2-fluorophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide

C18H27FN2O3S — CID 92802478

IUPAC1-[(2-fluorophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
SMILESCCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C18H27FN2O3S/c1-3-6-14(2)20-18(22)15-9-11-21(12-10-15)25(23,24)13-16-7-4-5-8-17(16)19/h4-5,7-8,14-15H,3,6,9-13H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyFSOCRVJSXATBII-AWEZNQCLSA-N
MW370.49 g/mol
LogP2.67
Rot. Bonds7

About 1-[(2-fluorophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide

1-[(2-fluorophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide (PubChem CID 92802478) has the molecular formula C18H27FN2O3S and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
PubChem CID92802478
Molecular FormulaC18H27FN2O3S
Molecular Weight370.49 g/mol
Exact Mass370.17
IUPAC Name1-[(2-fluorophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
SMILESCCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C18H27FN2O3S/c1-3-6-14(2)20-18(22)15-9-11-21(12-10-15)25(23,24)13-16-7-4-5-8-17(16)19/h4-5,7-8,14-15H,3,6,9-13H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyFSOCRVJSXATBII-AWEZNQCLSA-N
XLogP2.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methylsulfonyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53283463
N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802448
1-[(2-fluorophenyl)methylsulfonyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 133165622
N-[1-(4-ethoxyphenyl)ethyl]-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 132612610
1-[(4-bromophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 28569428
1-[(2-fluorophenyl)methylsulfonyl]-N-[(S)-(2-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 92675568
1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 29204152
1-[(3-bromophenyl)methylsulfonyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 43876056
1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924676
N-[(2R)-butan-2-yl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802421
[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 46778208
1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 7255930

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide (CID 92802478) is 1-[(2-fluorophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide is CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide?
The InChIKey is FSOCRVJSXATBII-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27FN2O3S/c1-3-6-14(2)20-18(22)15-9-11-21(12-10-15)25(23,24)13-16-7-4-5-8-17(16)19/h4-5,7-8,14-15H,3,6,9-13H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of 1-[(2-fluorophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide?
1-[(2-fluorophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide has a molecular weight of 370.49 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 92802478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).