(2R)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfonylpropanamide

C16H23FN2O3S — CID 94797005

IUPAC(2R)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfonylpropanamide
SMILESC[C@H](C(=O)NC1CCN(Cc2ccccc2F)CC1)S(C)(=O)=O
InChIInChI=1S/C16H23FN2O3S/c1-12(23(2,21)22)16(20)18-14-7-9-19(10-8-14)11-13-5-3-4-6-15(13)17/h3-6,12,14H,7-11H2,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeyHYCINDPOKKXQTK-GFCCVEGCSA-N
MW342.44 g/mol
LogP1.34
Rot. Bonds5

About (2R)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfonylpropanamide

(2R)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfonylpropanamide (PubChem CID 94797005) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is (2R)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfonylpropanamide
PubChem CID94797005
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC Name(2R)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfonylpropanamide
SMILESC[C@H](C(=O)NC1CCN(Cc2ccccc2F)CC1)S(C)(=O)=O
InChIInChI=1S/C16H23FN2O3S/c1-12(23(2,21)22)16(20)18-14-7-9-19(10-8-14)11-13-5-3-4-6-15(13)17/h3-6,12,14H,7-11H2,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeyHYCINDPOKKXQTK-GFCCVEGCSA-N
XLogP1.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
1-[(2-fluorophenyl)methyl]-N-[(1S)-1-(3-methylpyrazin-2-yl)ethyl]piperidin-4-amine
CID 129433668
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 166620548
N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107381
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822692
N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 51123737
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
2-[(2-chlorophenyl)methoxy]-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 47067089
1-[(2-fluorophenyl)methyl]-4-(1-propylsulfonylpiperidin-4-yl)piperidine
CID 155495769
methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 78582440
1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 133234574

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfonylpropanamide?
The IUPAC name of (2R)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfonylpropanamide (CID 94797005) is (2R)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfonylpropanamide?
The canonical SMILES for (2R)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfonylpropanamide is C[C@H](C(=O)NC1CCN(Cc2ccccc2F)CC1)S(C)(=O)=O.
What is the InChIKey of (2R)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfonylpropanamide?
The InChIKey is HYCINDPOKKXQTK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-12(23(2,21)22)16(20)18-14-7-9-19(10-8-14)11-13-5-3-4-6-15(13)17/h3-6,12,14H,7-11H2,1-2H3,(H,18,20)/t12-/m1/s1.
What are the key properties of (2R)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfonylpropanamide?
(2R)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfonylpropanamide has a molecular weight of 342.44 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 94797005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).