(2R)-N-[2-(3-fluorophenoxy)ethyl]-1-methylsulfonylpiperidine-2-carboxamide

C15H21FN2O4S — CID 35097802

IUPAC(2R)-N-[2-(3-fluorophenoxy)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCOc1cccc(F)c1
InChIInChI=1S/C15H21FN2O4S/c1-23(20,21)18-9-3-2-7-14(18)15(19)17-8-10-22-13-6-4-5-12(16)11-13/h4-6,11,14H,2-3,7-10H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyHHGGHJLWKCPAPP-CQSZACIVSA-N
MW344.41 g/mol
LogP1.13
Rot. Bonds6

About (2R)-N-[2-(3-fluorophenoxy)ethyl]-1-methylsulfonylpiperidine-2-carboxamide

(2R)-N-[2-(3-fluorophenoxy)ethyl]-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 35097802) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is (2R)-N-[2-(3-fluorophenoxy)ethyl]-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(3-fluorophenoxy)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID35097802
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC Name(2R)-N-[2-(3-fluorophenoxy)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCOc1cccc(F)c1
InChIInChI=1S/C15H21FN2O4S/c1-23(20,21)18-9-3-2-7-14(18)15(19)17-8-10-22-13-6-4-5-12(16)11-13/h4-6,11,14H,2-3,7-10H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyHHGGHJLWKCPAPP-CQSZACIVSA-N
XLogP1.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 33249875
1-(4-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 24615813
1-(4-fluorophenyl)sulfonyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 18150496
N-[3-(3-fluorophenoxy)propyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166410978
3-[2-[[(2R)-1-methylazepane-2-carbonyl]amino]ethoxy]benzoic acid
CID 124755901
(2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94106905
9-amino-N-[2-(3-fluorophenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985844
N-[2-(4-butoxyphenoxy)ethyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 5295983
1-cyclopropyl-N-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42959728
N-[2-(3-fluorophenoxy)ethyl]-1-(2-methoxybenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 55676479
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
4-[4-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119247130

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(3-fluorophenoxy)ethyl]-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-(3-fluorophenoxy)ethyl]-1-methylsulfonylpiperidine-2-carboxamide (CID 35097802) is (2R)-N-[2-(3-fluorophenoxy)ethyl]-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(3-fluorophenoxy)ethyl]-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(3-fluorophenoxy)ethyl]-1-methylsulfonylpiperidine-2-carboxamide is CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCOc1cccc(F)c1.
What is the InChIKey of (2R)-N-[2-(3-fluorophenoxy)ethyl]-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is HHGGHJLWKCPAPP-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c1-23(20,21)18-9-3-2-7-14(18)15(19)17-8-10-22-13-6-4-5-12(16)11-13/h4-6,11,14H,2-3,7-10H2,1H3,(H,17,19)/t14-/m1/s1.
What are the key properties of (2R)-N-[2-(3-fluorophenoxy)ethyl]-1-methylsulfonylpiperidine-2-carboxamide?
(2R)-N-[2-(3-fluorophenoxy)ethyl]-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(3-fluorophenoxy)ethyl]-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 35097802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).