N-(2-fluorophenyl)-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide

C22H27FN2OS — CID 45187738

IUPACN-(2-fluorophenyl)-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
SMILESCSc1ccc(CN2CCCC(CCC(=O)Nc3ccccc3F)C2)cc1
InChIInChI=1S/C22H27FN2OS/c1-27-19-11-8-18(9-12-19)16-25-14-4-5-17(15-25)10-13-22(26)24-21-7-3-2-6-20(21)23/h2-3,6-9,11-12,17H,4-5,10,13-16H2,1H3,(H,24,26)
InChIKeyHHTPTPCWCRDADW-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.18
Rot. Bonds7

About N-(2-fluorophenyl)-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide

N-(2-fluorophenyl)-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide (PubChem CID 45187738) has the molecular formula C22H27FN2OS and a molecular weight of 386.54 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
PubChem CID45187738
Molecular FormulaC22H27FN2OS
Molecular Weight386.54 g/mol
Exact Mass386.18
IUPAC NameN-(2-fluorophenyl)-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
SMILESCSc1ccc(CN2CCCC(CCC(=O)Nc3ccccc3F)C2)cc1
InChIInChI=1S/C22H27FN2OS/c1-27-19-11-8-18(9-12-19)16-25-14-4-5-17(15-25)10-13-22(26)24-21-7-3-2-6-20(21)23/h2-3,6-9,11-12,17H,4-5,10,13-16H2,1H3,(H,24,26)
InChIKeyHHTPTPCWCRDADW-UHFFFAOYSA-N
XLogP5.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-3-[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 42415624
N-(2-fluorophenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide
CID 45194818
N-(2-fluorophenyl)-3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]propanamide
CID 45205357
3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42288549
3-[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42195090
3-[(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42516110
3-[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42307306
N-(2-fluorophenyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
CID 45224423
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 26327141
N-(2-fluorophenyl)-3-[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 45173449
N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921368

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide (CID 45187738) is N-(2-fluorophenyl)-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide is CSc1ccc(CN2CCCC(CCC(=O)Nc3ccccc3F)C2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide?
The InChIKey is HHTPTPCWCRDADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2OS/c1-27-19-11-8-18(9-12-19)16-25-14-4-5-17(15-25)10-13-22(26)24-21-7-3-2-6-20(21)23/h2-3,6-9,11-12,17H,4-5,10,13-16H2,1H3,(H,24,26).
What are the key properties of N-(2-fluorophenyl)-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide?
N-(2-fluorophenyl)-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide has a molecular weight of 386.54 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45187738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).