(3R,5R)-N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-3,5-dimethylpiperidine-1-carboxamide

C16H23FN2O3S — CID 97225829

IUPAC(3R,5R)-N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-3,5-dimethylpiperidine-1-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)C1
InChIInChI=1S/C16H23FN2O3S/c1-11-6-12(2)9-19(8-11)16(20)18-15-5-4-14(17)7-13(15)10-23(3,21)22/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,18,20)/t11-,12-/m1/s1
InChIKeyRTFRMAJOFHMNMY-VXGBXAGGSA-N
MW342.44 g/mol
LogP2.88
Rot. Bonds3

About (3R,5R)-N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-3,5-dimethylpiperidine-1-carboxamide

(3R,5R)-N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 97225829) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is (3R,5R)-N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-3,5-dimethylpiperidine-1-carboxamide
PubChem CID97225829
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC Name(3R,5R)-N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-3,5-dimethylpiperidine-1-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)C1
InChIInChI=1S/C16H23FN2O3S/c1-11-6-12(2)9-19(8-11)16(20)18-15-5-4-14(17)7-13(15)10-23(3,21)22/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,18,20)/t11-,12-/m1/s1
InChIKeyRTFRMAJOFHMNMY-VXGBXAGGSA-N
XLogP2.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
CID 108892509
(3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 97271544
1-[(1S)-cyclohex-2-en-1-yl]-3-[4-fluoro-2-(methylsulfonylmethyl)phenyl]urea
CID 97000997
(2R,6R)-N-(2-bromo-4-fluorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 94187519
1-[(4-fluoro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102573
1-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-3-pent-4-yn-2-ylurea
CID 75495168
N-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 79766315
(3S,5S)-N-(4-bromo-2-methylphenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 51945173
2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-5-fluorobenzoic acid
CID 106670745
N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223020
(3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide
CID 27806673
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of (3R,5R)-N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-3,5-dimethylpiperidine-1-carboxamide (CID 97225829) is (3R,5R)-N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (3R,5R)-N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (3R,5R)-N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-3,5-dimethylpiperidine-1-carboxamide is C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)C1.
What is the InChIKey of (3R,5R)-N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is RTFRMAJOFHMNMY-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-11-6-12(2)9-19(8-11)16(20)18-15-5-4-14(17)7-13(15)10-23(3,21)22/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,18,20)/t11-,12-/m1/s1.
What are the key properties of (3R,5R)-N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-3,5-dimethylpiperidine-1-carboxamide?
(3R,5R)-N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 97225829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).