(2S)-N-(2,6-difluorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide

C16H22F2N2O — CID 9430854

IUPAC(2S)-N-(2,6-difluorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
SMILESC[C@@H]1C[C@@H](C)CN([C@@H](C)C(=O)Nc2c(F)cccc2F)C1
InChIInChI=1S/C16H22F2N2O/c1-10-7-11(2)9-20(8-10)12(3)16(21)19-15-13(17)5-4-6-14(15)18/h4-6,10-12H,7-9H2,1-3H3,(H,19,21)/t10-,11-,12+/m1/s1
InChIKeyLCVLIWGPIWPLHI-UTUOFQBUSA-N
MW296.36 g/mol
LogP3.27
Rot. Bonds3

About (2S)-N-(2,6-difluorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide

(2S)-N-(2,6-difluorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide (PubChem CID 9430854) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is (2S)-N-(2,6-difluorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2,6-difluorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
PubChem CID9430854
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name(2S)-N-(2,6-difluorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
SMILESC[C@@H]1C[C@@H](C)CN([C@@H](C)C(=O)Nc2c(F)cccc2F)C1
InChIInChI=1S/C16H22F2N2O/c1-10-7-11(2)9-20(8-10)12(3)16(21)19-15-13(17)5-4-6-14(15)18/h4-6,10-12H,7-9H2,1-3H3,(H,19,21)/t10-,11-,12+/m1/s1
InChIKeyLCVLIWGPIWPLHI-UTUOFQBUSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-phenylpropanamide
CID 100844501
N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 24506608
(2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319058
(2S)-N-(4-chloro-2-fluorophenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430814
(2S)-N-(3-bromophenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430772
(2S)-N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430774
N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083488
N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918498
(2R)-N-(3-chloro-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430806
N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083490
(2R)-N-(2,4-dichlorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319171
1-[1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 18094756

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-difluorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(2,6-difluorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide (CID 9430854) is (2S)-N-(2,6-difluorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(2,6-difluorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(2,6-difluorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide is C[C@@H]1C[C@@H](C)CN([C@@H](C)C(=O)Nc2c(F)cccc2F)C1.
What is the InChIKey of (2S)-N-(2,6-difluorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide?
The InChIKey is LCVLIWGPIWPLHI-UTUOFQBUSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-10-7-11(2)9-20(8-10)12(3)16(21)19-15-13(17)5-4-6-14(15)18/h4-6,10-12H,7-9H2,1-3H3,(H,19,21)/t10-,11-,12+/m1/s1.
What are the key properties of (2S)-N-(2,6-difluorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide?
(2S)-N-(2,6-difluorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide has a molecular weight of 296.36 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-difluorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide is sourced from PubChem (CID 9430854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).