N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide

C14H19FN2O3S — CID 3241926

IUPACN-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C14H19FN2O3S/c1-21(19,20)17-8-2-3-12(10-17)14(18)16-9-11-4-6-13(15)7-5-11/h4-7,12H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyBCDDSAOGIQUOHR-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.11
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide

N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 3241926) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID3241926
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C14H19FN2O3S/c1-21(19,20)17-8-2-3-12(10-17)14(18)16-9-11-4-6-13(15)7-5-11/h4-7,12H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyBCDDSAOGIQUOHR-UHFFFAOYSA-N
XLogP1.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 3241926) is N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)NCc2ccc(F)cc2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is BCDDSAOGIQUOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-21(19,20)17-8-2-3-12(10-17)14(18)16-9-11-4-6-13(15)7-5-11/h4-7,12H,2-3,8-10H2,1H3,(H,16,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3241926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).